From 93b2c118740ec51ec42d8e56f3ac99eda846f236 Mon Sep 17 00:00:00 2001 From: ekinaci Date: Wed, 11 Jul 2018 14:44:48 +0200 Subject: [PATCH 01/92] fixed no chemistry model --- .../chemistryModel/noChemistry/noChemistry.C | 58 ++++++++++++++++++- .../chemistryModel/noChemistry/noChemistry.H | 4 ++ 2 files changed, 61 insertions(+), 1 deletion(-) diff --git a/src/lagrangian/cfdemParticle/subModels/chemistryModel/noChemistry/noChemistry.C b/src/lagrangian/cfdemParticle/subModels/chemistryModel/noChemistry/noChemistry.C index 5e4146d7..0eb04f4b 100644 --- a/src/lagrangian/cfdemParticle/subModels/chemistryModel/noChemistry/noChemistry.C +++ b/src/lagrangian/cfdemParticle/subModels/chemistryModel/noChemistry/noChemistry.C @@ -57,8 +57,64 @@ noChemistry::~noChemistry() // * * * * * * * * * * * * * * * * Member Fct * * * * * * * * * * * * * * * // +tmp noChemistry::Smi(label i) const +{ + tmp Smi_ + ( + new volScalarField + ( + IOobject + ( + "smi_", + particleCloud_.mesh().time().timeName(), + particleCloud_.mesh(), + IOobject::NO_READ, + IOobject::NO_WRITE + ), + particleCloud_.mesh(), + dimensionedScalar + ( + "zero", + dimMass/(dimVol*dimTime), + 0.0 + ) + ) + ); + + return Smi_; +} + +tmp noChemistry::Sm() const +{ + tmp Sm_ + ( + new volScalarField + ( + IOobject + ( + "Sm_", + particleCloud_.mesh().time().timeName(), + particleCloud_.mesh(), + IOobject::NO_READ, + IOobject::NO_WRITE + ), + particleCloud_.mesh(), + dimensionedScalar + ( + "zero", + dimMass/(dimVol*dimTime), + 0.0 + ) + ) + ); + + return Sm_; +} + void noChemistry::execute() -{} +{ + //do nothing +} // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // diff --git a/src/lagrangian/cfdemParticle/subModels/chemistryModel/noChemistry/noChemistry.H b/src/lagrangian/cfdemParticle/subModels/chemistryModel/noChemistry/noChemistry.H index 5f0840ab..c4f7b061 100644 --- a/src/lagrangian/cfdemParticle/subModels/chemistryModel/noChemistry/noChemistry.H +++ b/src/lagrangian/cfdemParticle/subModels/chemistryModel/noChemistry/noChemistry.H @@ -66,6 +66,10 @@ public: void execute(); + tmp Smi(const label i) const; + + tmp Sm() const; + }; From 9dbf34262917e6e50ebaf8083bbd294fac353903 Mon Sep 17 00:00:00 2001 From: ekinaci Date: Mon, 16 Jul 2018 14:01:44 +0200 Subject: [PATCH 02/92] Get diffusant fields directly from volScalarFields.. instead of equalizing it to species fields. Change indexing for continuity, and cleanup of old code. --- .../diffusionCoefficients.C | 160 +++++++++--------- .../diffusionCoefficients.H | 2 + 2 files changed, 81 insertions(+), 81 deletions(-) diff --git a/src/lagrangian/cfdemParticle/subModels/chemistryModel/diffusionCoefficients/diffusionCoefficients.C b/src/lagrangian/cfdemParticle/subModels/chemistryModel/diffusionCoefficients/diffusionCoefficients.C index f9a2eb9d..29f0bd8c 100644 --- a/src/lagrangian/cfdemParticle/subModels/chemistryModel/diffusionCoefficients/diffusionCoefficients.C +++ b/src/lagrangian/cfdemParticle/subModels/chemistryModel/diffusionCoefficients/diffusionCoefficients.C @@ -79,6 +79,7 @@ diffusionCoefficient::diffusionCoefficient X_(speciesNames_.size()), diffusantGasNames_(propsDict_.lookup("diffusantGasNames")), diffusionCoefficients_(diffusantGasNames_.size(),NULL), + Xdiffusant_(diffusantGasNames_.size()), initialized_(false) { if(verbose_) @@ -148,9 +149,23 @@ void diffusionCoefficient::init() Info << " Read species list from: " << specDict_.name() << endl; Info << " Reading species list: " << speciesNames_ << endl; Info << " Looking up species fields: " << "X_"+speciesNames_[i] << endl; - Info << "The molar fraction fields (X_i): " << X_[i].name() << nl << endl; + Info << " The molar fraction fields (X_i): " << X_[i].name() << nl << endl; } } + + for (int j = 0; j < diffusantGasNames_.size(); j++) + { + volScalarField& Xdiffusant = const_cast + (mesh_.lookupObject("X_"+diffusantGasNames_[j])); + Xdiffusant_.set(j, &Xdiffusant); + + if(verbose_) + { + Info << " Reading diffusing gas species list: " << diffusantGasNames_ << endl; + Info << " Looking up diffusin gas species fields: " << "X_"+diffusantGasNames_[j] << endl; + Info << " The molar fraction fields (Xdiffusant_i): " << Xdiffusant_[j].name() << nl << endl; + } + } initialized_ = true; } @@ -179,9 +194,9 @@ void diffusionCoefficient::execute() Xfluid_.setSize(speciesNames_.size()); List XfluidDiffusant_(0); XfluidDiffusant_.setSize(diffusantGasNames_.size()); - List MixtureBinaryDiffusion_; + List MixtureBinaryDiffusion_(0); MixtureBinaryDiffusion_.setSize(diffusantGasNames_.size()); - List TotalFraction_; + List TotalFraction_(0); TotalFraction_.setSize(diffusantGasNames_.size()); // defining interpolators for T, rho, voidfraction, N @@ -214,31 +229,30 @@ void diffusionCoefficient::execute() { Xfluid_[i] = X_[i][cellI]; - for (int j=0; j diffusionCoefficients_; + UPtrList Xdiffusant_; + HashTable coeffs; HashTable molWeight; From 46803bf5c7492e14bc6404220e6ffb93f275b562 Mon Sep 17 00:00:00 2001 From: ekinaci Date: Tue, 24 Jul 2018 12:05:34 +0200 Subject: [PATCH 03/92] Remove unnecessary field calculations and interpolations... rho and molar concentration was used for debugging, they are not being communicated with DEM and not used within the model thus removed. --- .../diffusionCoefficients.C | 89 +++---------------- .../diffusionCoefficients.H | 9 -- 2 files changed, 10 insertions(+), 88 deletions(-) diff --git a/src/lagrangian/cfdemParticle/subModels/chemistryModel/diffusionCoefficients/diffusionCoefficients.C b/src/lagrangian/cfdemParticle/subModels/chemistryModel/diffusionCoefficients/diffusionCoefficients.C index 29f0bd8c..30473d2c 100644 --- a/src/lagrangian/cfdemParticle/subModels/chemistryModel/diffusionCoefficients/diffusionCoefficients.C +++ b/src/lagrangian/cfdemParticle/subModels/chemistryModel/diffusionCoefficients/diffusionCoefficients.C @@ -72,25 +72,12 @@ diffusionCoefficient::diffusionCoefficient P_(sm.mesh().lookupObject(pressureFieldName_)), partPressureName_(propsDict_.lookupOrDefault("partPressureName","partP")), partPressure_(NULL), - densityFieldName_(propsDict_.lookupOrDefault("densityFieldName","rho")), - rho_(sm.mesh().lookupObject (densityFieldName_)), - molarConcFieldName_(propsDict_.lookupOrDefault("totalMoleFieldName","molarConc")), - molarConc_(sm.mesh().lookupObject(molarConcFieldName_)), X_(speciesNames_.size()), diffusantGasNames_(propsDict_.lookup("diffusantGasNames")), diffusionCoefficients_(diffusantGasNames_.size(),NULL), Xdiffusant_(diffusantGasNames_.size()), initialized_(false) { - if(verbose_) - { - Info << " Reading diffusionCoefficient list: " << diffusantGasNames_ << endl; - for (int i = 0; i < diffusantGasNames_.size(); i++) - { - Info << "Diffusant names: " << diffusantGasNames_[i] << endl; - } - } - particleCloud_.checkCG(false); allocateMyArrays(); createCoeffs(); @@ -143,14 +130,6 @@ void diffusionCoefficient::init() volScalarField& X = const_cast (mesh_.lookupObject("X_"+speciesNames_[i])); X_.set(i, &X); - - if(verbose_) - { - Info << " Read species list from: " << specDict_.name() << endl; - Info << " Reading species list: " << speciesNames_ << endl; - Info << " Looking up species fields: " << "X_"+speciesNames_[i] << endl; - Info << " The molar fraction fields (X_i): " << X_[i].name() << nl << endl; - } } for (int j = 0; j < diffusantGasNames_.size(); j++) @@ -183,9 +162,7 @@ void diffusionCoefficient::execute() label cellI=0; scalar Tfluid(0); - scalar rhofluid(0); scalar Pfluid(0); - scalar molarConcfluid(0); scalar Texp(0); scalar dBinary_(0); scalar Xnegative(0); @@ -199,11 +176,9 @@ void diffusionCoefficient::execute() List TotalFraction_(0); TotalFraction_.setSize(diffusantGasNames_.size()); - // defining interpolators for T, rho, voidfraction, N + // defining interpolators for T and Pressure interpolationCellPoint TInterpolator_(tempField_); - interpolationCellPoint rhoInterpolator_(rho_); interpolationCellPoint PInterpolator_(P_); - interpolationCellPoint molarConcInterpolator_(molarConc_); for (int index=0; index=0 && index < 2) + if (verbose_) { - Info << "Nufield = " << nuf << endl; - Info << "Rep = " << Rep << endl; + Pout << "Nufield = " << nuf << endl; + Pout << "Rep = " << Rep << endl; } } diff --git a/src/lagrangian/cfdemParticle/subModels/chemistryModel/reactantPerParticle/reactantPerParticle.C b/src/lagrangian/cfdemParticle/subModels/chemistryModel/reactantPerParticle/reactantPerParticle.C index 57a58f44..ecaad5a7 100644 --- a/src/lagrangian/cfdemParticle/subModels/chemistryModel/reactantPerParticle/reactantPerParticle.C +++ b/src/lagrangian/cfdemParticle/subModels/chemistryModel/reactantPerParticle/reactantPerParticle.C @@ -98,11 +98,8 @@ void reactantPerParticle::allocateMyArrays() const void reactantPerParticle::reAllocMyArrays() const { - if (particleCloud_.numberOfParticlesChanged()) - { - double initVal=0.0; - particleCloud_.dataExchangeM().allocateArray(reactantPerParticle_,initVal,1); - } + double initVal=0.0; + particleCloud_.dataExchangeM().allocateArray(reactantPerParticle_,initVal,1); } // * * * * * * * * * * * * * * * * Member Fct * * * * * * * * * * * * * * * // diff --git a/src/lagrangian/cfdemParticle/subModels/chemistryModel/species/species.C b/src/lagrangian/cfdemParticle/subModels/chemistryModel/species/species.C index 29493b19..d42e5b00 100644 --- a/src/lagrangian/cfdemParticle/subModels/chemistryModel/species/species.C +++ b/src/lagrangian/cfdemParticle/subModels/chemistryModel/species/species.C @@ -69,7 +69,7 @@ species::species // create a list from the Species table in the specified species dictionary speciesNames_(specDict_.lookup("species")), mod_spec_names_(speciesNames_.size()), - X_(speciesNames_.size()), //volumeScalarFields + X_(speciesNames_.size()), //volumeScalarFields of molarFractions molarFractions_(speciesNames_.size(),NULL), //the value of molar fractions for every species changeOfSpeciesMass_(speciesNames_.size(),NULL), //the values that are received from DEM with the name of Modified_+species name changeOfSpeciesMassFields_(speciesNames_.size()), //the scalar fields generated with the values from Modified_+species names @@ -146,18 +146,15 @@ void species::allocateMyArrays() const void species::reAllocMyArrays() const { - if (particleCloud_.numberOfParticlesChanged()) - { - double initVal=0.0; - particleCloud_.dataExchangeM().allocateArray(partRho_,initVal,1); - particleCloud_.dataExchangeM().allocateArray(partTemp_,initVal,1); - particleCloud_.dataExchangeM().allocateArray(partMolarConc_,initVal,1); + double initVal=0.0; + particleCloud_.dataExchangeM().allocateArray(partRho_,initVal,1); + particleCloud_.dataExchangeM().allocateArray(partTemp_,initVal,1); + particleCloud_.dataExchangeM().allocateArray(partMolarConc_,initVal,1); - for (int i=0; i Date: Tue, 14 Aug 2018 10:35:08 +0200 Subject: [PATCH 05/92] Give info about reactantPerParticle if verbose. --- .../chemistryModel/reactantPerParticle/reactantPerParticle.C | 3 +++ .../chemistryModel/reactantPerParticle/reactantPerParticle.H | 2 ++ 2 files changed, 5 insertions(+) diff --git a/src/lagrangian/cfdemParticle/subModels/chemistryModel/reactantPerParticle/reactantPerParticle.C b/src/lagrangian/cfdemParticle/subModels/chemistryModel/reactantPerParticle/reactantPerParticle.C index ecaad5a7..8e650c5b 100644 --- a/src/lagrangian/cfdemParticle/subModels/chemistryModel/reactantPerParticle/reactantPerParticle.C +++ b/src/lagrangian/cfdemParticle/subModels/chemistryModel/reactantPerParticle/reactantPerParticle.C @@ -56,6 +56,7 @@ reactantPerParticle::reactantPerParticle chemistryModel(dict,sm), propsDict_(dict.subDict(typeName + "Props")), mesh_(sm.mesh()), + verbose_(propsDict_.lookupOrDefault("verbose",false)), reactantPerParticle_(NULL), voidfractionFieldName_(propsDict_.lookupOrDefault("voidfractionFieldName","voidfraction")), voidfraction_(sm.mesh().lookupObject(voidfractionFieldName_)), @@ -144,6 +145,8 @@ void reactantPerParticle::execute() particlesPerCell= particlesPerCell_[cellI]; reactantPerParticle_[index][0] = voidfraction * cellvolume / particlesPerCell; } + + if (verbose_) Info << "reactantPerParticle_" << reactantPerParticle_[index][0] << endl; } // give DEM data diff --git a/src/lagrangian/cfdemParticle/subModels/chemistryModel/reactantPerParticle/reactantPerParticle.H b/src/lagrangian/cfdemParticle/subModels/chemistryModel/reactantPerParticle/reactantPerParticle.H index 0fe39037..2e369755 100644 --- a/src/lagrangian/cfdemParticle/subModels/chemistryModel/reactantPerParticle/reactantPerParticle.H +++ b/src/lagrangian/cfdemParticle/subModels/chemistryModel/reactantPerParticle/reactantPerParticle.H @@ -54,6 +54,8 @@ private: const fvMesh& mesh_; + bool verbose_; + mutable double **reactantPerParticle_; word voidfractionFieldName_; From f523116c41cbd25a9d464ad0000714199bd5e772 Mon Sep 17 00:00:00 2001 From: ekinaci Date: Tue, 14 Aug 2018 11:01:46 +0200 Subject: [PATCH 06/92] Change naming of changed species mass fields for better evaluation, get data in data exchange models was missing an argument. Fixed the mass source term received from DEM side. --- .../subModels/chemistryModel/species/species.C | 17 ++++++++++++----- 1 file changed, 12 insertions(+), 5 deletions(-) diff --git a/src/lagrangian/cfdemParticle/subModels/chemistryModel/species/species.C b/src/lagrangian/cfdemParticle/subModels/chemistryModel/species/species.C index d42e5b00..4b9b6f38 100644 --- a/src/lagrangian/cfdemParticle/subModels/chemistryModel/species/species.C +++ b/src/lagrangian/cfdemParticle/subModels/chemistryModel/species/species.C @@ -166,7 +166,6 @@ void species::init() Info << " Reading species list: " << speciesNames_ << endl; } - for (int i=0; i; //PaSR; + +active false; //true; + +noCombustionCoeffs +{ +} + +PaSRCoeffs +{ + Cmix 1.0; + turbulentReaction off; +} + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/constant/couplingProperties b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/constant/couplingProperties new file mode 100644 index 00000000..7e087b4d --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/constant/couplingProperties @@ -0,0 +1,339 @@ +/*---------------------------------------------------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 1.4 | +| \\ / A nd | Web: http://www.openfoam.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ + + +FoamFile +{ + version 2.0; + format ascii; + + root ""; + case ""; + instance ""; + local ""; + + class dictionary; + object couplingProperties; +} + +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +//===========================================================================// +// sub-models & settings + +modelType "A"; // A or B + +couplingInterval 50; + +voidFractionModel divided; + +locateModel engine;//turboEngineM2M;// + +meshMotionModel noMeshMotion; + +regionModel allRegion; + +IOModel basicIO; //sophIO; + +probeModel off; + +dataExchangeModel twoWayMPI;//twoWayM2M;//twoWayFiles;//oneWayVTK;// + +averagingModel dense; + +clockModel off; //standardClock;// + +smoothingModel off;// localPSizeDiffSmoothing;// constDiffSmoothing; // + +forceModels +( + GidaspowDrag + gradPForce + viscForce +); + +energyModels +( + // heatTransferGunn + //reactionHeat +); + +thermCondModel off; //SyamlalThermCond; + +chemistryModels +( + species + diffusionCoefficients + massTransferCoeff + //off +); + +momCoupleModels +( + implicitCouple +); + +turbulenceModelType "turbulenceProperties";//"LESProperties";// + +//===========================================================================// +// sub-model properties +reactionHeatProps +{ + reactionHeatName "reactionHeat"; +} + +heatTransferGunnProps +{ + partTempName "Temp"; + partHeatFluxName "convectiveHeatFlux"; + calcPartTempField true; + partRefTemp 1023; + verbose false; +} + +speciesProps +{ + ChemistryFile "$casePath/CFD/constant/foam.inp"; + Nevery 1; + verbose false; +} + +diffusionCoefficientsProps +{ + verbose false; + ChemistryFile "$casePath/CFD/constant/foam.inp"; + diffusantGasNames ( CO + H2 + ); +} + +massTransferCoeffProps +{ + verbose false; +} + +reactantPerParticleProps +{ + +} + +SyamlalThermCondProps +{ + voidfractionFieldName "voidfraction"; + rhoFieldName "rho"; +} + +LaEuScalarTempProps +{ + velFieldName "U"; + tempFieldName "T"; + voidfractionFieldName "voidfraction"; + partTempName "Temp"; + partHeatFluxName "convectiveHeatFlux"; + lambda 0.0256; + Cp 1007; +} + +localPSizeDiffSmoothingProps +{ + lowerLimit 0.1; + upperLimit 1e10; + dSmoothingLength 1.5e-3; + Csmoothing 1.0; +} + +constDiffSmoothingProps +{ + lowerLimit 0.1; + upperLimit 1e10; + smoothingLength 1.5e-3; +} + +implicitCoupleProps +{ + velFieldName "U"; + granVelFieldName "Us"; + voidfractionFieldName "voidfraction"; +} + +ArchimedesProps +{ + gravityFieldName "g"; +} + +gradPForceProps +{ + pFieldName "p"; + voidfractionFieldName "voidfraction"; + velocityFieldName "U"; + interpolation true; +} + +viscForceProps +{ + velocityFieldName "U"; + interpolation true; +} + +volWeightedAverageProps +{ + scalarFieldNames + ( + voidfraction + ); + vectorFieldNames + ( + ); + upperThreshold 0.999; + lowerThreshold 0; + verbose true; +} + +totalMomentumExchangeProps +{ + implicitMomExFieldName "Ksl"; + explicitMomExFieldName "none"; + fluidVelFieldName "U"; + granVelFieldName "Us"; +} + +GidaspowDragProps +{ + verbose true; + velFieldName "U"; + granVelFieldName "Us"; + voidfractionFieldName "voidfraction"; + interpolation true; + phi 1; +} + +DEMbasedDragProps +{ + velFieldName "U"; + voidfractionFieldName "voidfraction"; +} + +DiFeliceDragProps +{ + //verbose true; + velFieldName "U"; + voidfractionFieldName "voidfraction"; + granVelFieldName "Us"; + interpolation true; +} + +KochHillDragProps +{ + verbose true; + velFieldName "U"; + voidfractionFieldName "voidfraction"; + interpolation true; + //forceSubModels + //( + // ImExCorr + //); + implForceDEM true; + //implForceDEMaccumulated true; + //explicitCorr true; +} + +BeetstraDragProps +{ + velFieldName "U"; + gravityFieldName "g"; + rhoParticle 2000.; + voidfractionFieldName "voidfraction"; + interpolation ; + useFilteredDragModel ; + useParcelSizeDependentFilteredDrag ; + k 0.05; + aLimit 0.0; +// verbose true; +} + +RongDragProps +{ + verbose true; + velFieldName "U"; + voidfractionFieldName "voidfraction"; + interpolation true; + implForceDEM true; + implForceDEMaccumulated true; + granVelFieldName "Us"; +} + +virtualMassForceProps +{ + velFieldName "U"; +} + +particleCellVolumeProps +{ + upperThreshold 0.999; + lowerThreshold 0.; + verbose true; +} + +fieldStoreProps +{ + scalarFieldNames + ( + ); + + vectorFieldNames + ( + "U" + ); +} + +oneWayVTKProps +{ + couplingFilename "vtk_out%4.4d.vtk"; + maxNumberOfParticles 30000; +} + +twoWayFilesProps +{ + maxNumberOfParticles 10100; +} + +centreProps +{ + alphaMin 0.1; +} + +engineProps +{ + treeSearch true; +} + +turboEngineM2MProps +{ + turboEngineProps + { + treeSearch true; + } +} + +dividedProps +{ + alphaMin 0.01; + scaleUpVol 1.0; +} + +twoWayMPIProps +{ + liggghtsPath "../DEM/in.liggghts_run"; +} + +twoWayM2MProps +{ + maxNumberOfParticles 10100; + liggghtsPath "../DEM/in.liggghts_run"; +} +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/constant/foam.dat b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/constant/foam.dat new file mode 100644 index 00000000..9c8376f6 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/constant/foam.dat @@ -0,0 +1,126 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + location "constant"; + object foam.dat; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // +H2 +{ + specie + { + nMoles 1; + molWeight 2.02; + } + thermodynamics + { + Tlow 200; + Thigh 6000; + Tcommon 1000; + highCpCoeffs ( 2.932831E+00 8.265980E-04 -1.464006E-07 1.540985E-11 -6.887962E-16 -8.130558E+02 -1.024316E+00); + lowCpCoeffs ( 2.344303E+00 7.980425E-03 -1.947792E-05 2.015697E-08 -7.376029E-12 -9.179241E+02 6.830022E-01); + } + transport + { + As 1.67212e-06; + Ts 170.6; + } +} +H2O +{ + specie + { + nMoles 1; + molWeight 18.015; + } + thermodynamics + { + Tlow 200; + Thigh 6000; + Tcommon 1000; + highCpCoeffs ( 2.677039E+00 2.973182E-03 -7.737689E-07 9.443351E-11 -4.268999E-15 -2.988589E+04 6.882550E+00); + lowCpCoeffs ( 4.198635E+00 -2.036402E-03 6.520342E-06 -5.487927E-09 1.771968E-12 -3.029373E+04 -8.490090E-01); + } + transport + { + As 1.67212e-06; + Ts 170.672; + } +} + +CO +{ + specie + { + nMoles 1; + molWeight 28.01; + } + thermodynamics + { + Tlow 200; + Thigh 6000; + Tcommon 1000; + highCpCoeffs ( 3.048486E+00 1.351728E-03 -4.857941E-07 7.885364E-11 -4.698075E-15 -1.426612E+04 6.017098E+00 ); + lowCpCoeffs ( 3.579534E+00 -6.103537E-04 1.016814E-06 9.070059E-10 -9.044245E-13 -1.434409E+04 3.508409E+00 ); + } + transport + { + As 1.67212e-06; + Ts 170.672; + } +} + +CO2 +{ + specie + { + nMoles 1; + molWeight 44.01; + } + thermodynamics + { + Tlow 200; + Thigh 6000; + Tcommon 1000; + highCpCoeffs ( 4.636511E+00 2.741457E-03 -9.958976E-07 1.603867E-10 -9.161986E-15 -4.902490E+04 -1.934896E+00 ); + lowCpCoeffs ( 2.356813E+00 8.984130E-03 -7.122063E-06 2.457301E-09 -1.428855E-13 -4.837197E+04 9.900904E+00 ); + } + transport + { + As 1.67212e-06; + Ts 170.6; + } +} + +N2 +{ + specie + { + nMoles 1; + molWeight 28.0134; + } + thermodynamics + { + Tlow 200; + Thigh 6000; + Tcommon 1000; + highCpCoeffs ( 2.952541E+00 1.396884E-03 -4.926258E-07 7.860009E-11 -4.607498E-15 -9.239375E+02 5.871822E+00 ); + lowCpCoeffs ( 3.530963E+00 -1.236595E-04 -5.029934E-07 2.435277E-09 -1.408795E-12 -1.046964E+03 2.967439E+00 ); + } + transport + { + As 1.67212e-06; + Ts 170.672; + } +} + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/constant/foam.inp b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/constant/foam.inp new file mode 100644 index 00000000..197268aa --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/constant/foam.inp @@ -0,0 +1,14 @@ +species +( + CO + CO2 + H2 + H2O + N2 +); + +reactions +{ +} + + diff --git a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/constant/g b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/constant/g new file mode 100644 index 00000000..abca4e14 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/constant/g @@ -0,0 +1,22 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class uniformDimensionedVectorField; + location "constant"; + object g; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [0 1 -2 0 0 0 0]; +value ( 0 -9.81 0 ); + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/constant/liggghtsCommands b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/constant/liggghtsCommands new file mode 100644 index 00000000..ea16dec7 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/constant/liggghtsCommands @@ -0,0 +1,43 @@ +/*---------------------------------------------------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 1.4 | +| \\ / A nd | Web: http://www.openfoam.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ + + +FoamFile +{ + version 2.0; + format ascii; + + root ""; + case ""; + instance ""; + local ""; + + class dictionary; + object liggghtsCommands; +} + +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +liggghtsCommandModels +( + runLiggghts + writeLiggghts +); +// ************************************************************************* // + +/*runLiggghtsProps +{ + preNo false; +}*/ + +writeLiggghtsProps +{ + writeLast on; + writeName "post/restart/liggghts.restartCFDEM"; + overwrite on; +} diff --git a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/constant/polyMesh/blockMeshDict b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/constant/polyMesh/blockMeshDict new file mode 100644 index 00000000..7edce08b --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/constant/polyMesh/blockMeshDict @@ -0,0 +1,77 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + location "constant/polyMesh"; + object blockMeshDict; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +convertToMeters 1.0; + +vertices +( + (0 0 0) + (0.06 0 0) + (0.06 0.15 0) + (0 0.15 0) + (0 0 0.06) + (0.06 0 0.06) + (0.06 0.15 0.06) + (0 0.15 0.06) +); + +blocks +( + hex (0 1 2 3 4 5 6 7)(25 63 25) simpleGrading (1 1 1) + +); + +edges +( +); + +boundary +( + outlet + { + type patch; + faces + ( + (3 7 6 2) + ); + } + inlet + { + type patch; + faces + ( + (1 5 4 0) + ); + } + side-walls + { + type wall; + faces + ( + (0 3 2 1) + (4 5 6 7) + (0 4 7 3) + (2 6 5 1) + ); + } +); + +mergePatchPairs +( +); + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/constant/thermophysicalProperties b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/constant/thermophysicalProperties new file mode 100644 index 00000000..7a627bc0 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/constant/thermophysicalProperties @@ -0,0 +1,67 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + location "constant"; + object thermophysicalProperties; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +thermoType +{ + type heRhoThermo; //hePsiThermo; // + mixture reactingMixture; //species and reactions are listed in chemistry file + transport sutherland; //calcualtes viscosity as a function of temperature from Stuherland coefficient As and Ts + thermo janaf; + equationOfState perfectGas; + energy sensibleEnthalpy; //uses enthaly in the solution + specie specie; +} + +chemistryReader foamChemistryReader; + +foamChemistryThermoFile "$casePath/CFD/constant/foam.dat"; + +foamChemistryFile "$casePath/CFD/constant/foam.inp"; + +inertSpecie N2; + +/*liquids +{ + H2O + { + defaultCoeffs yes; + } +} + +solids +{ + C + { + defaultCoeffs no; + // if defaultCoeffs no properties should be : + CCoeffs + { + rho 2010; + Cp 710; + K 0.04; + Hf 0; + emissivity 1.0; + } + } + ash + { + defaultCoeffs yes; + } +} + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/constant/transportProperties b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/constant/transportProperties new file mode 100644 index 00000000..4a909f79 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/constant/transportProperties @@ -0,0 +1,44 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 1.6 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + location "constant"; + object transportProperties; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +transportModel Newtonian; + +nu nu [ 0 2 -1 0 0 0 0 ] 1.126e-05; // + +kf kf [ 1 1 -3 -1 0 0 0 ] 0.0507; // comes from energy model + +Cp Cp [ 0 2 -2 -1 0 0 0 ] 3050; // comes from energy model + + +// ******* Non-Newtonian transport properties ************************ // +/*CrossPowerLawCoeffs +{ + nu0 nu0 [ 0 2 -1 0 0 0 0 ] 1e-06; + nuInf nuInf [ 0 2 -1 0 0 0 0 ] 1e-06; + m m [ 0 0 1 0 0 0 0 ] 1; + n n [ 0 0 0 0 0 0 0 ] 1; +} + +BirdCarreauCoeffs +{ + nu0 nu0 [ 0 2 -1 0 0 0 0 ] 1e-06; + nuInf nuInf [ 0 2 -1 0 0 0 0 ] 1e-06; + k k [ 0 0 1 0 0 0 0 ] 0; + n n [ 0 0 0 0 0 0 0 ] 1; +} +*/ +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/constant/turbulenceProperties b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/constant/turbulenceProperties new file mode 100644 index 00000000..d1156961 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/constant/turbulenceProperties @@ -0,0 +1,20 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + location "constant"; + object turbulenceProperties; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +simulationType laminar; + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/fractionalReduction.plt b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/fractionalReduction.plt new file mode 100644 index 00000000..5cc39fd3 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/fractionalReduction.plt @@ -0,0 +1,15 @@ +set terminal qt 0 +set title "Fractional Reduction No CG" +set xtic auto +set ytic auto +set xlabel "Time, (s)" +set ylabel "Reduction Rate, (%)" +set grid xtics ytics +set autoscale +plot "Output.dat" using 1:($2/28545)*100 title 'fw' with lines lc rgb '#0060ad' lt 2.5 lw 2.5, \ + "Output.dat" using 1:($3/28545)*100 title 'fm' with lines lc rgb '#dd181f' lt 2.5 lw 2.5, \ + "Output.dat" using 1:($4/28545)*100 title 'fh' with lines lt 2.5 lw 2.5,\ + "Output.dat" using 1:(($4/28545)*1/9+($3/28545)*2/9+($2/28545)*6/9)*100 title 'ftot' with lines lc "black" lt 2.5 lw 2.5 + +pause 1 +reread diff --git a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/system/controlDict b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/system/controlDict new file mode 100644 index 00000000..4e57821c --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/system/controlDict @@ -0,0 +1,164 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + location "system"; + object controlDict; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +application cfdemSolverRhoPimpleChem; + +startFrom startTime; + +startTime 0.0; + +stopAt endTime; + +endTime 70; + +deltaT 0.0005; //0.00025; + +writeControl timeStep; + +writeInterval 5000; + +purgeWrite 0; + +writeFormat ascii; + +writePrecision 6; + +writeCompression off; + +timeFormat general; + +timePrecision 6; + +runTimeModifiable false; + +adjustTimeStep no; + +maxCo 0.5; + +maxDeltaT 0.1; + + +// ************************************************************************* // + libs ( + "libfieldFunctionObjects.so" + ); + +functions +{ + moleFrac + { + type rhoReactionThermoMoleFractions; + } + + residuals + { + type residuals; + functionObjectLibs ("libutilityFunctionObjects.so"); + enabled true; + outputControl timeStep; + outputInterval 1; + + fields + ( + p + U + ); + } + + gasResidual + { + type residuals; + functionObjectLibs ("libutilityFunctionObjects.so"); + enabled true; + outputControl timeStep; + outputInterval 1; + + fields + ( + CO + CO2 + H2 + H2O + N2 + ); + } + + probes1 + { + type probes; + + functionObjectLibs ("libsampling.so"); + + #include "probesDict"; + } + + + fieldMinMax1 + { + type fieldMinMax; + libs ("libfieldFunctionObjects.so"); + fields (U); + // Report the location of the field extrema + location yes; + // Type of extrema for rank > 0 primitives + mode magnitude; // magnitude | component + } + + + + globalMassFrac + { + type volRegion; + libs ("libfieldFunctionObjects.so"); + writeControl timeStep;//outputTime; + writeInterval 1; + log true; + writeFields false; + regionType all; + name c0; + operation weightedVolAverage; + weightField rhoeps; + fields + ( + H2 + H2O + CO2 + CO + N2 + ); + } + + globalMass + { + type volRegion; + libs ("libfieldFunctionObjects.so"); + writeControl timeStep;//outputTime; + writeInterval 1; + log true; + writeFields false; + regionType all; + name c1; + operation volIntegrate; + fields + ( + rhoeps + rho + ); + } +} + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/system/controlDict.foam b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/system/controlDict.foam new file mode 100644 index 00000000..9b4017ce --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/system/controlDict.foam @@ -0,0 +1,164 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + location "system"; + object controlDict; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +application cfdemSolverRhoPimpleChem; + +startFrom startTime; + +startTime 0.0; + +stopAt endTime; + +endTime 1; + +deltaT 0.0001; + +writeControl timeStep; // + +writeInterval 50; //500; + +purgeWrite 10; + +writeFormat ascii; + +writePrecision 6; + +writeCompression off; + +timeFormat general; + +timePrecision 6; + +runTimeModifiable false; + +adjustTimeStep no; + +maxCo 0.5; + +maxDeltaT 0.1; + + +// ************************************************************************* // + libs ( + "libfieldFunctionObjects.so" + ); + +functions +{ + moleFrac + { + type rhoReactionThermoMoleFractions; + } + + residuals + { + type residuals; + functionObjectLibs ("libutilityFunctionObjects.so"); + enabled true; + outputControl timeStep; + outputInterval 1; + + fields + ( + p + U + ); + } + + gasResidual + { + type residuals; + functionObjectLibs ("libutilityFunctionObjects.so"); + enabled true; + outputControl timeStep; + outputInterval 1; + + fields + ( + CO + CO2 + H2 + H2O + N2 + ); + } + + probes1 + { + type probes; + + functionObjectLibs ("libsampling.so"); + + #include "probesDict"; + } + + + fieldMinMax1 + { + type fieldMinMax; + libs ("libfieldFunctionObjects.so"); + fields (U); + // Report the location of the field extrema + location yes; + // Type of extrema for rank > 0 primitives + mode magnitude; // magnitude | component + } + + + + globalMassFrac + { + type volRegion; + libs ("libfieldFunctionObjects.so"); + writeControl timeStep;//outputTime; + writeInterval 1; + log true; + writeFields false; + regionType all; + name c0; + operation weightedVolAverage; + weightField rhoeps; + fields + ( + H2 + H2O + CO2 + CO + N2 + ); + } + + globalMass + { + type volRegion; + libs ("libfieldFunctionObjects.so"); + writeControl timeStep;//outputTime; + writeInterval 1; + log true; + writeFields false; + regionType all; + name c1; + operation volIntegrate; + fields + ( + rhoeps + rho + ); + } +} + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/system/decomposeParDict b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/system/decomposeParDict new file mode 100644 index 00000000..deac5375 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/system/decomposeParDict @@ -0,0 +1,46 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + location "system"; + object decomposeParDict; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +numberOfSubdomains 8; + +//method scotch; +method simple; + +simpleCoeffs +{ + n (4 1 2); + delta 0.001; +} + +hierarchicalCoeffs +{ + n ( 1 1 1 ); + delta 0.001; + order xyz; +} + +manualCoeffs +{ + dataFile ""; +} + +distributed no; + +roots ( ); + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/system/fvOptions b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/system/fvOptions new file mode 100644 index 00000000..d29ae97f --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/system/fvOptions @@ -0,0 +1,78 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + location "system"; + object fvOptions; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // +limitedTemperature +{ + type limitTemperature; + active yes; + limitTemperatureCoeffs + { + active yes; + selectionMode all; + Tmin 1020; + Tmax 2000; + } +} + +/*fixedTemperature +{ + type fixedTemperatureConstraint; + active yes; + selectionMode all; + + fixedTemperatureConstraintCoeffs + { + active yes; + selectionMode all; + mode uniform; + temperature 753; //993.15; + } +}*/ + +/*fixedVelocity +{ + type vectorFixedValueConstraint; + active yes; + + vectorFixedValueConstraintCoeffs + { + selectionMode all; + fieldValues + { + U (0.0 0.25 0.0); + } + } +} */ + +/*fixedSpecies +{ + type vectorFixedValueConstraint; + active true; + + vectorFixedValueConstraintCoeffs + { + selectionMode all; + fieldValues + { + CO (0. 0.3923 0.); + CO2 (0. 0.2332 0.); + H2 (0. 0.0101 0.); + H2O (0. 0.0230 0.); + N2 (0. 0.3414 0.); + } + } +}*/ + diff --git a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/system/fvSchemes b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/system/fvSchemes new file mode 100644 index 00000000..45a529d2 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/system/fvSchemes @@ -0,0 +1,80 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + location "system"; + object fvSchemes; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +ddtSchemes +{ + default Euler; +} + +gradSchemes +{ + default Gauss linear; + grad(p) cellMDLimited leastSquares 0.5; + grad(U) cellMDLimited leastSquares 0.5; //cellLimited Gauss linear 1; // + grad(h) cellMDLimited leastSquares 0.5; +} + +divSchemes +{ + default Gauss linear; + + div(phi,U) Gauss limitedLinear 1; //Gauss linear; //Gauss limitedLinear 1; // //Gauss limitedLinearV 1; // + div(phid,p) Gauss limitedLinear 1; //Gauss upwind; //Gauss limitedLinearV 1; + div(phi,K) Gauss linear; + div(phi,h) Gauss limitedLinear 1; //Gauss upwind; + div(phi,k) Gauss limitedLinear 1; //Gauss upwind; + div(phi,epsilon) Gauss limitedLinear 1; //Gauss upwind; + div(U) Gauss limitedLinear 1; + div(phi,Yi_h) Gauss multivariateSelection + { + CO limitedLinear01 1; + H2 limitedLinear01 1; + N2 limitedLinear01 1; + H2O limitedLinear01 1; + CO2 limitedLinear01 1; + h limitedLinear 1; + } + // div((muEff*dev2(T(grad(U))))) Gauss linear; + div((viscousTerm*dev2(grad(U).T()))) Gauss linear; + div((thermo:mu*dev(grad(U).T()))) Gauss linear; + div((nuEff*dev2(T(grad(U))))) Gauss linear; +} + +laplacianSchemes +{ + default Gauss linear corrected; //Gauss linear orthogonal; +} + +interpolationSchemes +{ + default linear; + interpolate(U) linear; +} + +snGradSchemes +{ + default corrected; //orthogonal; +} + +fluxRequired +{ + default no; + p ; +} + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/system/fvSolution b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/system/fvSolution new file mode 100644 index 00000000..91510656 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/system/fvSolution @@ -0,0 +1,127 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + location "system"; + object fvSolution; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // +solvers +{ + p + { + /*solver PCG; + preconditioner DIC; + tolerance 1e-6; + relTol 0.01;*/ + solver GAMG; + tolerance 1e-06; + relTol 0.01; + smoother GaussSeidel; + nPreSweeps 0; + nPostSweeps 2; + nFinestSweeps 2; + cacheAgglomeration on; + nCellsInCoarsestLevel 10; + agglomerator faceAreaPair; + mergeLevels 1; + } + + pFinal + { + $p; + tolerance 1e-06; + relTol 0; + } + + "(rho|G)" + { + solver PCG; + preconditioner DIC; + tolerance 1e-6; + relTol 0.01; + /*solver smoothSolver; + smoother symGaussSeidel; + tolerance 1e-6; + relTol 0.1; + nSweeps 3;*/ + } + + "(rho|G)Final" + { + $rho; + tolerance 1e-06; + relTol 0; + } + + "(U|h|R|k|epsilon)" + { + solver smoothSolver; + smoother symGaussSeidel; + tolerance 1e-05; + relTol 0.1; + } + + "(U|h|R|k|epsilon)Final" + { + $U; + tolerance 1e-05; + relTol 0; + } + + "(Yi|CO|CO2|H2|H2O|N2)" + { + solver smoothSolver; + smoother symGaussSeidel; + tolerance 1e-06; + relTol 0.01; + maxIter 1; + } + + "(Yi|CO|CO2|H2|H2O|N2)Final" + { + $Yi; + tolerance 1e-06; + relTol 0; + maxIter 1; + } + + T + { + solver PBiCG; + preconditioner DILU; + tolerance 1e-8; + relTol 0; + } +} + +PIMPLE +{ + momentumPredictor yes; + nOuterCorrectors 3; + nCorrectors 1; + nNonOrthogonalCorrectors 0; + rhoMin rhoMin [ 1 -3 0 0 0 ] 0.5; + rhoMax rhoMax [ 1 -3 0 0 0 ] 2.5; +} + +relaxationFactors +{ + fields + { + } + equations + { + ".*" 0.9; + } +} + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/system/probesDict b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/system/probesDict new file mode 100644 index 00000000..c114db35 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/system/probesDict @@ -0,0 +1,57 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \ / O peration | Version: 2.1.x | +| \ / A nd | Web: www.OpenFOAM.org | +| \/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + object probesDict; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + + + +fields +( + rho + p + T + molC + N2 + CO2 + CO + H2 + H2O + ModSpeciesMassField_N2 + ModSpeciesMassField_CO2 + ModSpeciesMassField_CO + ModSpeciesMassField_H2 + ModSpeciesMassField_H2O + X_CO + X_CO2 + X_H2 + X_H2O + X_N2 +); + +writeControl timeStep; +writeInterval 10000; + + +// Locations to be probed. +probeLocations +( + (0.03 0.025 0.03) + (0.03 0.05 0.03) + (0.03 0.075 0.03) + (0.03 0.09 0.03) + (0.03 0.12 0.03) +); + +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + diff --git a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/DEM/in.liggghts_init b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/DEM/in.liggghts_init new file mode 100644 index 00000000..a0b6ecba --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/DEM/in.liggghts_init @@ -0,0 +1,65 @@ +# Particle insertion into domain +coarsegraining 6.0 model_check error +atom_style granular +atom_modify map array +echo both + +communicate single vel yes + +boundary f f f +newton off + +units si +processors 4 1 2 + +region reg block 0.0 0.06 0.0 0.15 0.0 0.06 units box +create_box 1 reg + +neighbor 0.0005 bin +neigh_modify delay 0 + +# Material properties required for granular pair styles +fix m1 all property/global youngsModulus peratomtype 5.e6 +fix m2 all property/global poissonsRatio peratomtype 0.45 +fix m3 all property/global coefficientRestitution peratomtypepair 1 0.3 +fix m4 all property/global coefficientFriction peratomtypepair 1 0.5 + +# pair style +pair_style gran model hertz tangential history +pair_coeff * * + +# timestep, gravity +timestep 1e-6 +fix gravi all gravity 9.81 vector 0.0 -1.0 0.0 + +# walls +fix xwalls1 all wall/gran model hertz tangential history primitive type 1 xplane 0.0 +fix xwalls2 all wall/gran model hertz tangential history primitive type 1 xplane 0.06 +fix ywalls1 all wall/gran model hertz tangential history primitive type 1 yplane 0.0 +fix ywalls2 all wall/gran model hertz tangential history primitive type 1 yplane 0.15 +fix zwalls1 all wall/gran model hertz tangential history primitive type 1 zplane 0.0 +fix zwalls2 all wall/gran model hertz tangential history primitive type 1 zplane 0.06 + +# particle distributions and insertion +region bc block 0.0 0.06 0.0 0.08 0.0 0.06 units box +fix pts1 all particletemplate/sphere 1 atom_type 1 density constant 4630 radius constant 0.00011 +fix pdd1 all particledistribution/discrete 1 1 pts1 1.0 + +fix ins all insert/pack seed 100001 distributiontemplate pdd1 vel constant 0. -1. 0. insert_every once overlapcheck yes all_in yes particles_in_region 28545 region bc + +# apply nve integration to all particles that are inserted as single particles +fix integr all nve/sphere + +# screen output +compute rke all erotate/sphere +thermo_style custom step atoms ke c_rke vol +thermo 1000 +thermo_modify lost ignore norm no +compute_modify thermo_temp dynamic yes + +# insert the first particles so that dump is not empty +run 1 +dump dmp all custom 1000 post/dump.liggghts_init id type x y z ix iy iz vx vy vz fx fy fz omegax omegay omegaz radius + +run 150000 upto +write_restart ../DEM/post/restart/liggghts.restart diff --git a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/DEM/in.liggghts_run b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/DEM/in.liggghts_run new file mode 100644 index 00000000..a3d7ad90 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/DEM/in.liggghts_run @@ -0,0 +1,305 @@ +# Pour granular particles into chute container, then induce flow +log ../DEM/log.liggghts +thermo_log ../DEM/post/thermo.txt + +coarsegraining 6.0 model_check error + +atom_style granular +atom_modify map array +communicate single vel yes + +boundary f f f +newton off + +units si +processors 4 1 2 + +# read the restart file +read_restart ../DEM/post/restart/liggghts.restart + +#region remo block 0.0 0.005 0.0 0.010 0.0275 0.0325 units box +#delete_atoms region remo compress no + +neighbor 0.0005 bin +neigh_modify delay 0 + +# Material properties required for granular pair styles + +fix m1 all property/global youngsModulus peratomtype 5.e6 +fix m2 all property/global poissonsRatio peratomtype 0.45 +fix m3 all property/global coefficientRestitution peratomtypepair 1 0.3 +fix m4 all property/global coefficientFriction peratomtypepair 1 0.5 + +# pair style +pair_style gran model hertz tangential history # Hertzian without cohesion +pair_coeff * * + +# timestep, gravity +timestep 1e-5 +fix gravi all gravity 9.81 vector 0.0 -1.0 0.0 + +# walls +fix xwalls1 all wall/gran model hertz tangential history primitive type 1 xplane 0.0 +fix xwalls2 all wall/gran model hertz tangential history primitive type 1 xplane 0.06 +fix ywalls1 all wall/gran model hertz tangential history primitive type 1 yplane 0.0 +fix ywalls2 all wall/gran model hertz tangential history primitive type 1 yplane 0.15 +fix zwalls1 all wall/gran model hertz tangential history primitive type 1 zplane 0.0 +fix zwalls2 all wall/gran model hertz tangential history primitive type 1 zplane 0.06 + +#Thermal properties +# fix ftco all property/global thermalConductivity peratomtype 1.4 +# fix ftca all property/global thermalCapacity peratomtype 800 + +############################################### +fix ts_check all check/timestep/gran 10 0.1 0.1 + +### cfd coupling +fix cfd all couple/cfd couple_every 50 mpi +fix cfd2 all couple/cfd/force/implicit + +# apply nve integration to all particles that are inserted as single particles +fix integr all nve/sphere + +# this one invokes heat transfer calculation, transfers per-particle temperature and adds convective heat flux to particles +# fix tconv all couple/cfd/convection T0 300 + +#### stuff for chemistry #### +#### this should invoke chemistry +fix cfd3 all couple/cfd/chemistry n_species 5 species_names CO CO2 H2 H2O N2 n_diff 2 diffusant_names CO H2 + +### Activate for 3-layer unreacted core shrink model +fix cfd5 all chem/shrink/core speciesA CO molMassA 0.02801 speciesC CO2 molMassC 0.04401 screen no nevery 1 +fix cfd6 all chem/shrink/core speciesA H2 molMassA 0.00202 speciesC H2O molMassC 0.01801 screen no nevery 1 + +### Chemical properties for unreacted shrink core (activate only when chem/shrink/core is active) +fix k0_CO all property/global k0_cfd5 vector 17 25 2700 +fix Ea_CO all property/global Ea_cfd5 vector 69488 73674 113859 + +fix k0_H2 all property/global k0_cfd6 vector 30 23 160 +fix Ea_H2 all property/global Ea_cfd6 vector 63627 71162 92092 + +### particle porosity/tortuosity/pore diameter #(porosities has to change) +fix porosity all property/atom porosity_ vector yes no no 0.624 0.2636 0.102 0.084 +fix tortuosity all property/global tortuosity_ scalar 3 +fix pore_diameter all property/global pore_diameter_ scalar 1e-6 + +### Material properties for unreacted chemical shrink core (activate only when chem/shrink/core is active) +fix density all property/global density_all vector 7870 5740 5170 5240 +fix molMass all property/global molMass_all vector 0.055845 0.071844 0.231532 0.1596882 + +### define layer radius +fix LayerRelRadii all property/atom relRadii vector yes no no 1.0 0.9999 0.998 0.001 + +### define fix for mass layer - initial testing +fix LayerMasses all property/atom massLayer vector yes no no 0. 0. 0. 0. + +## define fix for rho_eff and fracRed - initialize as zero +fix fracRed all property/atom fracRed vector yes no no 0. 0. 0. +fix rhoeff all property/atom rhoeff vector yes no no 0. 0. 0. 0. +fix dY_cfd5 all property/atom dY_cfd5 vector yes yes no 0. 0. 0. +fix dY_cfd6 all property/atom dY_cfd6 vector yes yes no 0. 0. 0. +#fix dmA_cfd5 all property/atom dmA_cfd5 vector yes yes no 0. 0. 0. +#fix dmA_cfd6 all property/atom dmA_cfd6 vector yes yes no 0. 0. 0. + +############################################### + +variable WI equal 25000 +variable time equal step*dt +variable m1 equal mass[1] +variable rp equal radius[1] +variable rho1 equal mass[1]/((4/3)*PI*radius[1]*radius[1]*radius[1]) +fix printmass all print ${WI} "${time} ${m1} ${rho1} ${rp}" file mass_rho_rad.txt title "#time mass rho rad_par" + +############################################### +####### check nufield and Rep if it changes due to processor switch +compute nu1 all reduce sum f_partNu +fix NuField all ave/time 1 1 1 c_nu1 +variable nu_f equal f_NuField + +compute ReF all reduce sum f_partRe +fix ReField all ave/time 1 1 1 c_ReF +variable Re equal f_ReField + +compute COdiff all reduce sum f_CO_diffCoeff +fix diffField_CO all ave/time 1 1 1 c_COdiff +variable CO_diffCo equal f_diffField_CO + +compute H2diff all reduce sum f_H2_diffCoeff +fix diffField_H2 all ave/time 1 1 1 c_H2diff +variable H2_diffCo equal f_diffField_H2 + +fix printErrorCheck all print 10000 "${time} ${nu_f} ${Re} ${CO_diffCo} ${H2_diffCo}" file ErrorCheck.dat title "#time nu_f Re CO_diffCoeff H2_diffCoeff" + +############################################### +## Check Layer Radii and Write them to files ### +compute layerRad1 all reduce sum f_LayerRelRadii[1] +fix redRad1 all ave/time 1 1 1 c_layerRad1 +variable rr1 equal f_redRad1 + +compute layerRad2 all reduce sum f_LayerRelRadii[2] +fix redRad2 all ave/time 1 1 1 c_layerRad2 +variable rr2 equal f_redRad2 + +compute layerRad3 all reduce sum f_LayerRelRadii[3] +fix redRad3 all ave/time 1 1 1 c_layerRad3 +variable rr3 equal f_redRad3 + +compute layerRad4 all reduce sum f_LayerRelRadii[4] +fix redRad4 all ave/time 1 1 1 c_layerRad4 +variable rr4 equal f_redRad4 + +fix printRelRadii all print ${WI} "${time} ${rr1} ${rr2} ${rr3} ${rr4}" file relRadii.dat title "#time relRad_1 relRad_2 relRad_3 relRad_4" + +############################################### +#### Give information about resistance terms and molar fractions to specified files ### +compute Aterm_red_CO all reduce sum f_Aterm_cfd5[1] f_Aterm_cfd5[2] f_Aterm_cfd5[3] +fix Aterm1 all ave/time 10 1 10 c_Aterm_red_CO[1] c_Aterm_red_CO[2] c_Aterm_red_CO[3] +variable a_CO_1 equal f_Aterm1[1] +variable a_CO_2 equal f_Aterm1[2] +variable a_CO_3 equal f_Aterm1[3] + +compute Aterm_red_H2 all reduce sum f_Aterm_cfd6[1] f_Aterm_cfd6[2] f_Aterm_cfd6[3] +fix Aterm2 all ave/time 10 1 10 c_Aterm_red_H2[1] c_Aterm_red_H2[2] c_Aterm_red_H2[3] +variable a_H2_1 equal f_Aterm2[1] +variable a_H2_2 equal f_Aterm2[2] +variable a_H2_3 equal f_Aterm2[3] + +compute Bterm_red_CO all reduce sum f_Bterm_cfd5[1] f_Bterm_cfd5[2] f_Bterm_cfd5[3] +fix Bterm1 all ave/time 10 1 10 c_Bterm_red_CO[1] c_Bterm_red_CO[2] c_Bterm_red_CO[3] +variable b_CO_1 equal f_Bterm1[1] +variable b_CO_2 equal f_Bterm1[2] +variable b_CO_3 equal f_Bterm1[3] + +compute Bterm_red_H2 all reduce sum f_Bterm_cfd6[1] f_Bterm_cfd6[2] f_Bterm_cfd6[3] +fix Bterm2 all ave/time 10 1 10 c_Bterm_red_H2[1] c_Bterm_red_H2[2] c_Bterm_red_H2[3] +variable b_H2_1 equal f_Bterm2[1] +variable b_H2_2 equal f_Bterm2[2] +variable b_H2_3 equal f_Bterm2[3] + +compute Massterm_red_CO all reduce sum f_Massterm_cfd5 +fix Massterm1 all ave/time 10 1 10 c_Massterm_red_CO +variable mt_CO equal f_Massterm1 + +compute Massterm_red_H2 all reduce sum f_Massterm_cfd6 +fix Massterm2 all ave/time 10 1 10 c_Massterm_red_H2 +variable mt_H2 equal f_Massterm2 + +compute fracRedTerm all reduce sum f_fracRed[1] f_fracRed[2] f_fracRed[3] +fix fracRed1 all ave/time 10 1 10 c_fracRedTerm[1] c_fracRedTerm[2] c_fracRedTerm[3] +variable fr_1 equal f_fracRed1[1] +variable fr_2 equal f_fracRed1[2] +variable fr_3 equal f_fracRed1[3] + +compute effDiffBinary_red_CO all reduce sum f_effDiffBinary_cfd5[1] f_effDiffBinary_cfd5[2] f_effDiffBinary_cfd5[3] +fix effDiffBinary1 all ave/time 10 1 10 c_effDiffBinary_red_CO[1] c_effDiffBinary_red_CO[2] c_effDiffBinary_red_CO[3] +variable dij_CO_1 equal f_effDiffBinary1[1] +variable dij_CO_2 equal f_effDiffBinary1[2] +variable dij_CO_3 equal f_effDiffBinary1[3] + +compute effDiffBinary_red_H2 all reduce sum f_effDiffBinary_cfd6[1] f_effDiffBinary_cfd6[2] f_effDiffBinary_cfd6[3] +fix effDiffBinary2 all ave/time 10 1 10 c_effDiffBinary_red_H2[1] c_effDiffBinary_red_H2[2] c_effDiffBinary_red_H2[3] +variable dij_H2_1 equal f_effDiffBinary2[1] +variable dij_H2_2 equal f_effDiffBinary2[2] +variable dij_H2_3 equal f_effDiffBinary2[3] + +compute effDiffKnud_red_CO all reduce sum f_effDiffKnud_cfd5[1] f_effDiffKnud_cfd5[2] f_effDiffKnud_cfd5[3] +fix effDiffKnud1 all ave/time 10 1 10 c_effDiffKnud_red_CO[1] c_effDiffKnud_red_CO[2] c_effDiffKnud_red_CO[3] +variable dik_CO_1 equal f_effDiffKnud1[1] +variable dik_CO_2 equal f_effDiffKnud1[2] +variable dik_CO_3 equal f_effDiffKnud1[3] + +compute effDiffKnud_red_H2 all reduce sum f_effDiffKnud_cfd6[1] f_effDiffKnud_cfd6[2] f_effDiffKnud_cfd6[3] +fix effDiffKnud2 all ave/time 10 1 10 c_effDiffKnud_red_H2[1] c_effDiffKnud_red_H2[2] c_effDiffKnud_red_H2[3] +variable dik_H2_1 equal f_effDiffKnud2[1] +variable dik_H2_2 equal f_effDiffKnud2[2] +variable dik_H2_3 equal f_effDiffKnud2[3] + +compute porosity_red all reduce sum f_porosity[1] f_porosity[2] f_porosity[3] f_porosity[4] +fix porosity1 all ave/time 10 1 10 c_porosity_red[1] c_porosity_red[2] c_porosity_red[3] c_porosity_red[4] +variable p1 equal f_porosity1[1] +variable p2 equal f_porosity1[2] +variable p3 equal f_porosity1[3] +variable p4 equal f_porosity1[4] + +compute mass_layer all reduce sum f_LayerMasses[1] f_LayerMasses[2] f_LayerMasses[3] f_LayerMasses[4] +fix massLayerPrintout all ave/time 1 1 1 c_mass_layer[1] c_mass_layer[2] c_mass_layer[3] c_mass_layer[4] +variable mL1 equal f_massLayerPrintout[1] +variable mL2 equal f_massLayerPrintout[2] +variable mL3 equal f_massLayerPrintout[3] +variable mL4 equal f_massLayerPrintout[4] + +compute dY_CO all reduce sum f_dY_cfd5[1] f_dY_cfd5[2] f_dY_cfd5[3] +fix dY_CO_Output all ave/time 1 1 1 c_dY_CO[1] c_dY_CO[2] c_dY_CO[3] +variable dY_CO_1 equal f_dY_CO_Output[1] +variable dY_CO_2 equal f_dY_CO_Output[2] +variable dY_CO_3 equal f_dY_CO_Output[3] + +compute dY_H2 all reduce sum f_dY_cfd6[1] f_dY_cfd6[2] f_dY_cfd6[3] +fix dY_H2_Output all ave/time 1 1 1 c_dY_H2[1] c_dY_H2[2] c_dY_H2[3] +variable dY_H2_1 equal f_dY_H2_Output[1] +variable dY_H2_2 equal f_dY_H2_Output[2] +variable dY_H2_3 equal f_dY_H2_Output[3] + +compute xA_CO all reduce sum f_X_CO +fix molarFractionA_CO all ave/time 1 1 1 c_xA_CO +variable xA_CO_1 equal f_molarFractionA_CO + +compute xA_H2 all reduce sum f_X_H2 +fix molarFractionA_H2 all ave/time 1 1 1 c_xA_H2 +variable xA_H2_1 equal f_molarFractionA_H2 + +compute xC_CO2 all reduce sum f_X_CO2 +fix molarFractionC_CO2 all ave/time 1 1 1 c_xC_CO2 +variable xC_CO2_1 equal f_molarFractionC_CO2 + +compute xC_H2O all reduce sum f_X_H2O +fix molarFractionC_H2O all ave/time 1 1 1 c_xC_H2O +variable xC_H2O_1 equal f_molarFractionC_H2O + +### Reactant gas mass change ### +compute dma_CO all reduce sum f_dmA_cfd5[1] f_dmA_cfd5[2] f_dmA_cfd5[3] +fix dmA_f_CO all ave/time 1 1 1 c_dma_CO[1] c_dma_CO[2] c_dma_CO[3] +variable dmA_CO_1 equal f_dmA_f_CO[1] +variable dmA_CO_2 equal f_dmA_f_CO[2] +variable dmA_CO_3 equal f_dmA_f_CO[3] + +compute dma_H2 all reduce sum f_dmA_cfd6[1] f_dmA_cfd6[2] f_dmA_cfd6[3] +fix dmA_f_H2 all ave/time 1 1 1 c_dma_H2[1] c_dma_H2[2] c_dma_H2[3] +variable dmA_H2_1 equal f_dmA_f_H2[1] +variable dmA_H2_2 equal f_dmA_f_H2[2] +variable dmA_H2_3 equal f_dmA_f_H2[3] + +### Write Mass change files to file ### +fix printdmA all print ${WI} "${time} ${dmA_CO_1} ${dmA_CO_2} ${dmA_CO_3} ${dmA_H2_1} ${dmA_H2_2} ${dmA_H2_3}" file dmA.dat title "#time dmA_CO_1 dmA_CO_2 dmA_CO_3 dmA_H2_1 dmA_H2_2 dmA_H2_3" + +### Write Outputs ### +fix printOutput all print ${WI} "${time} ${fr_1} ${fr_2} ${fr_3}" file Output.dat title "#time fr_1 fr_2 fr_3 " + +fix printAterm all print ${WI} "${time} ${mt_CO} ${mt_H2} ${a_CO_1} ${a_CO_2} ${a_CO_3} ${a_H2_1} ${a_H2_2} ${a_H2_3}" file Aterm.dat title "#time mt_CO mt_H2 a_CO_1 aCO_2 a_CO_3 a_H2_1 a_H2_2 a_H2_3" + +fix printBterm all print ${WI} "${time} ${b_CO_1} ${b_CO_2} ${b_CO_3} ${b_H2_1} ${b_H2_2} ${b_H2_3}" file Bterm.dat title "#time b_CO_1 b_CO_2 b_CO_3 b_H2_1 b_H2_2 b_H2_3" + +fix printDiffTerms all print ${WI} "${time} ${dij_CO_1} ${dij_CO_2} ${dij_CO_3} ${dij_H2_1} ${dij_H2_2} ${dij_H2_3} ${dik_CO_1} ${dik_CO_2} ${dik_CO_3} ${dik_H2_1} ${dik_H2_2} ${dik_H2_3} " file DiffTerm.dat title "#time dij_CO_1 dij_CO_2 dij_CO_3 dij_H2_1 dij_H2_2 dij_H2_3 dik_CO_1 dik_CO_2 dik_CO_3 dik_H2_1 dik_H2_2 dik_H2_3" + +fix printMassLayer all print ${WI} "${time} ${mL1} ${mL2} ${mL3} ${mL4}" file MassLayers.dat title "#time mL_Fe mL_w mL_m mL_h" + +fix printdmYLayer all print ${WI} "${time} ${dY_CO_1} ${dY_CO_2} ${dY_CO_3} ${dY_H2_1} ${dY_H2_2} ${dY_H2_3}" file dmY.dat title "#time dY_CO_1 dY_CO_2 dY_CO_3 dY_H2_1 dY_H2_2 dY_H2_3" + +fix molarFractions all print ${WI} "${time} ${xA_CO_1} ${xA_H2_1} ${xC_CO2_1} ${xC_H2O_1}" file molarFractions.dat title "#title x_CO x_H2 x_CO2 x_H2O" + +############################################### + +# screen output +compute rke all erotate/sphere +thermo_style custom step atoms ke c_rke vol +thermo 1000 +thermo_modify lost ignore norm no +compute_modify thermo_temp dynamic yes + +dump dmp all custom ${WI} ../DEM/post/dump.liggghts_run id type x y z ix iy iz vx vy vz fx fy fz omegax omegay omegaz radius + +dump tstdmp2 all custom 250000 ../DEM/dumptest.liggghts_run id type x y z vx vy vz f_Aterm_cfd5[1] f_Aterm_cfd5[2] f_Aterm_cfd5[3] f_Aterm_cfd6[1] f_Aterm_cfd6[2] f_Aterm_cfd6[3] f_Bterm_cfd5[1] f_Bterm_cfd5[2] f_Bterm_cfd5[3] f_Bterm_cfd6[1] f_Bterm_cfd6[2] f_Bterm_cfd6[3] f_Massterm_cfd5 f_Massterm_cfd6 f_X_CO f_X_H2 f_X_CO2 f_X_H2O f_fracRed[1] f_fracRed[2] f_fracRed[3] + +#dump tstdmp3 all custom 250000 ../DEM/dumpDIFF.liggghts_run id type x y z vx vy vz f_effDiffBinary_cfd5[1] f_effDiffBinary_cfd5[2] f_effDiffBinary_cfd5[3] f_effDiffBinary_cfd6[1] f_effDiffBinary_cfd6[2] f_effDiffBinary_cfd6[3] + +run 1 diff --git a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/Spreitzer_R2 b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/Spreitzer_R2 new file mode 100644 index 00000000..e2f42130 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/Spreitzer_R2 @@ -0,0 +1,20 @@ +#!/bin/bash +#PBS -o fb.out +#PBS -V +#PBS -k oe +#PBS -j oe +#PBS -l nodes=1:ppn=8 +#PBS -l walltime=999:00:00 +#PBS -m ae +#PBS -M mustafa_efe.kinaci@jku.at + +source ~/.bashrc +source /apps/openfoam-4.0/OpenFOAM-4.x-version-4.0/etc/bashrc +source $HOME/CFDEM/CFDEMcoupling/etc/bashrc +module add icc gcc/4.9.1 + +caseDir=$HOME/CFDEM/CFDEMcoupling/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_R2 + +cd $caseDir + +./Allrun.sh diff --git a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/parCFDDEMrun.sh b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/parCFDDEMrun.sh new file mode 100755 index 00000000..a08fa357 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/parCFDDEMrun.sh @@ -0,0 +1,96 @@ +#!/bin/bash + +#===================================================================# +# allrun script for testcase as part of test routine +# run settlingTest CFD part +# Christoph Goniva - Feb. 2011 +#===================================================================# + +#- source CFDEM env vars +. ~/.bashrc + +#- include functions +source $CFDEM_PROJECT_DIR/etc/functions.sh + +#--------------------------------------------------------------------------------# +#- define variables +casePath="$(dirname "$(readlink -f ${BASH_SOURCE[0]})")" +logpath=$casePath +headerText="testingFluidizedBed" +logfileName="log_$headerText" +solverName="cfdemSolverRhoPimpleChem" #"cfdemSolverPiso" # +nrProcs="8" +machineFileName="none" # yourMachinefileName | none +debugMode="off" # on | off| strict +testHarnessPath="$CFDEM_TEST_HARNESS_PATH" +runOctave="false" +postproc="true" + +#--------------------------------------------------------------------------------# + +#- call function to run a parallel CFD-DEM case +parCFDDEMrun $logpath $logfileName $casePath $headerText $solverName $nrProcs $machineFileName $debugMode + + +if [ $runOctave == "true" ] + then + #------------------------------# + # octave + + #- change path + cd octave + + #- rmove old graph + rm cfdemSolverPiso_ErgunTestMPI.eps + + #- run octave + octave totalPressureDrop.m + + #- show plot + evince cfdemSolverPiso_ErgunTestMPI.eps + + #- copy log file to test harness + cp ../../$logfileName $testHarnessPath + cp cfdemSolverPiso_ErgunTestMPI.eps $testHarnessPath +fi + +if [ $postproc == "true" ] + then + + #- keep terminal open (if started in new terminal) + echo "simulation finished? ...press enter to proceed" + read + + #- get VTK data from liggghts dump file + cd $casePath/DEM/post + python -i $CFDEM_LPP_DIR/lpp.py dump*.liggghts_run + + #- get VTK data from CFD sim + cd $casePath/CFD + reconstructPar + foamToVTK #- serial run of foamToVTK + #source $CFDEM_SRC_DIR/lagrangian/cfdemParticle/etc/functions.sh #- include functions + #pseudoParallelRun "foamToVTK" $nrPostProcProcessors #- pseudo parallel run of foamToVTK + + #- start paraview + paraview + + #- keep terminal open (if started in new terminal) + echo "...press enter to clean up case" + echo "press Ctr+C to keep data" + read + +fi + +#- clean up case +#echo "deleting data at: $casePath :\n" +#source $WM_PROJECT_DIR/bin/tools/CleanFunctions +#cd $casePath/CFD +#cleanCase +#rm -r $casePath/CFD/clockData +#rm $casePath/DEM/post/*.* +#touch $casePath/DEM/post/.gitignore +#rm $casePath/DEM/post/restart/*.* +#rm $casePath/DEM/post/restart/liggghts.restartCFDEM* +#touch $casePath/DEM/post/restart/.gitignore +#echo "done" diff --git a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/parDEMrun.sh b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/parDEMrun.sh new file mode 100755 index 00000000..2841da36 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/parDEMrun.sh @@ -0,0 +1,30 @@ +#!/bin/bash + +#===================================================================# +# DEMrun script for ErgunTestMPI testcase +# init ErgunTestMPI +# Christoph Goniva - July 2014 +#===================================================================# + +#- source CFDEM env vars +. ~/.bashrc + +#- include functions +source $CFDEM_PROJECT_DIR/etc/functions.sh + +echo "starting DEM run in parallel..." +#--------------------------------------------------------------------------------# +#- define variables +casePath="$(dirname "$(readlink -f ${BASH_SOURCE[0]})")" +logpath="$casePath" +headerText="run_liggghts_init_DEM" +logfileName="log_$headerText" +solverName="in.liggghts_init" +nrProcs=8 +machineFileName="none" +debugMode="off" +#--------------------------------------------------------------------------------# + +#- call function to run DEM case +parDEMrun $logpath $logfileName $casePath $headerText $solverName $nrProcs $machineFileName $debugMode + diff --git a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/plotResidual.sh b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/plotResidual.sh new file mode 100755 index 00000000..4f88e6f0 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/plotResidual.sh @@ -0,0 +1,14 @@ +#!/bin/bash +# Open and plot the residuals for time/iteration and gas species + +casePath="$(dirname "$(readlink -f ${BASH_SOURCE[0]})")" + +cd $casePath +#echo "Load Gnuplot" +#gnuplot > load 'Residuals.plt' & +echo "Residual vs Time" +foamMonitor -l CFD/postProcessing/residuals/0/residuals.dat & +echo "gasResidual vs Time" +foamMonitor -l CFD/postProcessing/gasResidual/0/residuals.dat +wait + diff --git a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/postrun.sh b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/postrun.sh new file mode 100755 index 00000000..2a474cc3 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/postrun.sh @@ -0,0 +1,2 @@ +#!/bin/bash +# nothing to see here \ No newline at end of file diff --git a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/prerun.sh b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/prerun.sh new file mode 100755 index 00000000..7b370ae7 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/prerun.sh @@ -0,0 +1,13 @@ +#!/bin/bash + +#- define variables +casePath="$(dirname "$(readlink -f ${BASH_SOURCE[0]})")" + +# check if mesh was built +if [ -f "$casePath/CFD/constant/polyMesh/boundary" ]; then + echo "mesh was built before - using old mesh" +else + echo "mesh needs to be built" + cd $casePath/CFD + blockMesh +fi \ No newline at end of file diff --git a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/run.config b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/run.config new file mode 100644 index 00000000..9091b486 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/run.config @@ -0,0 +1,19 @@ +{ + "type" : "CFDEMcoupling", + "runs" : [ + { + "name" : "liggghts-init", + "input_script" : "DEM/in.liggghts_init", + "type" : "liggghts/serial" + }, + { + "name" : "cfdemrun", + "depends_on" : "liggghts-init", + "solver" : "cfdemSolverPiso", + "type" : "CFDEMcoupling/mpi", + "nprocs" : 2, + "pre_scripts" : ["prerun.sh"], + "post_scripts" : ["postrun.sh"] + } + ] +} From 56a16fee98922c17836183c579cbfcd081272f53 Mon Sep 17 00:00:00 2001 From: ekinaci Date: Fri, 14 Sep 2018 10:34:04 +0200 Subject: [PATCH 10/92] Single Particle Hematite Reduction Tutorial Case incoming gas is 30% CO 4% CO2 6% H2. --- .../30CO6H2_Hematite/Allclean | 35 ++ .../30CO6H2_Hematite/Allrun.sh | 50 +++ .../30CO6H2_Hematite/CFD/0/CO | 51 +++ .../30CO6H2_Hematite/CFD/0/CO2 | 51 +++ .../30CO6H2_Hematite/CFD/0/H2 | 51 +++ .../30CO6H2_Hematite/CFD/0/H2O | 51 +++ .../30CO6H2_Hematite/CFD/0/Ksl | 51 +++ .../30CO6H2_Hematite/CFD/0/N2 | 51 +++ .../30CO6H2_Hematite/CFD/0/Qsource | 51 +++ .../30CO6H2_Hematite/CFD/0/T | 51 +++ .../30CO6H2_Hematite/CFD/0/U | 55 +++ .../30CO6H2_Hematite/CFD/0/Us | 48 +++ .../30CO6H2_Hematite/CFD/0/alphat | 47 +++ .../30CO6H2_Hematite/CFD/0/epsilon | 53 +++ .../30CO6H2_Hematite/CFD/0/k | 47 +++ .../30CO6H2_Hematite/CFD/0/mut | 48 +++ .../30CO6H2_Hematite/CFD/0/nut | 51 +++ .../30CO6H2_Hematite/CFD/0/p | 49 +++ .../30CO6H2_Hematite/CFD/0/p.org | 52 +++ .../30CO6H2_Hematite/CFD/0/rho | 50 +++ .../30CO6H2_Hematite/CFD/0/voidfraction | 50 +++ .../CFD/constant/chemistryProperties | 41 +++ .../CFD/constant/combustionProperties | 33 ++ .../CFD/constant/couplingProperties | 339 ++++++++++++++++++ .../30CO6H2_Hematite/CFD/constant/foam.dat | 150 ++++++++ .../30CO6H2_Hematite/CFD/constant/foam.inp | 14 + .../30CO6H2_Hematite/CFD/constant/g | 22 ++ .../CFD/constant/liggghtsCommands | 43 +++ .../CFD/constant/polyMesh/blockMeshDict | 91 +++++ .../CFD/constant/thermophysicalProperties | 66 ++++ .../CFD/constant/transportProperties | 43 +++ .../CFD/constant/turbulenceProperties | 20 ++ .../30CO6H2_Hematite/CFD/system/controlDict | 117 ++++++ .../CFD/system/decomposeParDict | 46 +++ .../30CO6H2_Hematite/CFD/system/fvSchemes | 68 ++++ .../30CO6H2_Hematite/CFD/system/fvSolution | 109 ++++++ .../30CO6H2_Hematite/CFD/system/probesDict | 54 +++ .../30CO6H2_Hematite/DEM/in.liggghts_init | 58 +++ .../30CO6H2_Hematite/DEM/in.liggghts_run | 177 +++++++++ .../30CO6H2_Hematite/parCFDDEMrun.sh | 96 +++++ .../30CO6H2_Hematite/parDEMrun.sh | 30 ++ .../30CO6H2_Hematite/postproc.sh | 18 + .../30CO6H2_Hematite/postrun.sh | 2 + .../30CO6H2_Hematite/prerun.sh | 13 + .../30CO6H2_Hematite/run.config | 19 + .../30CO6H2_Hematite/runTestCase | 19 + 46 files changed, 2731 insertions(+) create mode 100644 tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/Allclean create mode 100755 tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/Allrun.sh create mode 100644 tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/CO create mode 100644 tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/CO2 create mode 100644 tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/H2 create mode 100644 tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/H2O create mode 100644 tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/Ksl create mode 100644 tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/N2 create mode 100644 tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/Qsource create mode 100644 tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/T create mode 100644 tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/U create mode 100644 tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/Us create mode 100644 tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/alphat create mode 100644 tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/epsilon create mode 100644 tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/k create mode 100644 tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/mut create mode 100644 tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/nut create mode 100644 tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/p create mode 100644 tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/p.org create mode 100644 tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/rho create mode 100644 tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/voidfraction create mode 100644 tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/chemistryProperties create mode 100644 tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/combustionProperties create mode 100644 tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/couplingProperties create mode 100644 tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/foam.dat create mode 100644 tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/foam.inp create mode 100644 tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/g create mode 100644 tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/liggghtsCommands create mode 100644 tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/polyMesh/blockMeshDict create mode 100644 tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/thermophysicalProperties create mode 100644 tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/transportProperties create mode 100644 tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/turbulenceProperties create mode 100644 tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/system/controlDict create mode 100644 tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/system/decomposeParDict create mode 100644 tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/system/fvSchemes create mode 100644 tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/system/fvSolution create mode 100644 tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/system/probesDict create mode 100644 tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/DEM/in.liggghts_init create mode 100644 tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/DEM/in.liggghts_run create mode 100644 tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/parCFDDEMrun.sh create mode 100755 tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/parDEMrun.sh create mode 100644 tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/postproc.sh create mode 100755 tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/postrun.sh create mode 100755 tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/prerun.sh create mode 100644 tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/run.config create mode 100644 tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/runTestCase diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/Allclean b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/Allclean new file mode 100644 index 00000000..a27b0fac --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/Allclean @@ -0,0 +1,35 @@ +#!/bin/sh +#cd ${0%/*} || exit 1 # run from this directory + +# Source tutorial run functions +. $WM_PROJECT_DIR/bin/tools/CleanFunctions +source $CFDEM_PROJECT_DIR/etc/functions.sh + +#- define variables +casePath="$(dirname "$(readlink -f ${BASH_SOURCE[0]})")" +cd $casePath/CFD +cleanCase +# rm $casePath/CFD/rmass*.dat +#rm $casePath/CFD/*.dat +#rm $casePath/CFD/*.txt +rm $casePath/log* +#rm $casePath/run_error.log +#cp -R 0/Org/p 0/p +#cp -R 0/Org/U 0/U +#cp -R 0/Org/Us 0/Us +#cp -R 0/Org/phiIB 0/phiIB +#cp -R 0/Org/voidfraction 0/voidfraction + +rm -R $casePath/DEM/post +mkdir $casePath/DEM/post +mkdir $casePath/DEM/post/restart +#cd $casePath/DEM/post/restart +#touch liggghts.restart + +## if postproc is activated (in fix_chem_shrink) +#rm $casePath/changeOfCO2 +#rm $casePath/changeOfO2 +#rm $casePath/rhogas_ +#rm $casePath/pmass_ + +# ----------------------------------------------------------------- end-of-file diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/Allrun.sh b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/Allrun.sh new file mode 100755 index 00000000..5c5cfbbc --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/Allrun.sh @@ -0,0 +1,50 @@ +#!/bin/bash + +#===================================================================# +# allrun script for testcase as part of test routine +# run settlingTest +# Christoph Goniva - Sept. 2010 +#===================================================================# + +#- source CFDEM env vars +. ~/.bashrc + +#- include functions +source $CFDEM_PROJECT_DIR/etc/functions.sh + +#- define variables +casePath="$(dirname "$(readlink -f ${BASH_SOURCE[0]})")" +export casePath + +#cd $casePath/CFD +#blockMesh + +#$casePath/parDEMrun.sh + +#bash $casePath/parCFDDEMrun.sh + +export casePath +# check if mesh was built +if [ -f "$casePath/CFD/constant/polyMesh/points" ]; then + echo "mesh was built before - using old mesh" +else + echo "mesh needs to be built" + cd $casePath/CFD + blockMesh +fi + +if [ -f "$casePath/DEM/post/restart/liggghts.restart" ]; then + echo "LIGGGHTS init was run before - using existing restart file" +else + #- run DEM in new terminal + $casePath/parDEMrun.sh +fi + +#echo "Run Simulation" +#cd $casePath/CFD +#decomposePar +#mpirun -np $nrProcs $solverName -parallel | tee -a $logfileName + +#- run parallel CFD-DEM in new terminal +#gnome-terminal -e "bash $casePath/parCFDDEMrun.sh" +bash $casePath/parCFDDEMrun.sh diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/CO b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/CO new file mode 100644 index 00000000..0fb43b4e --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/CO @@ -0,0 +1,51 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + location "0"; + object CO; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [0 0 0 0 0 0 0]; + +internalField uniform 0.31018; // 30%; + +boundaryField +{ + top + { + type zeroGradient; + } + + bottom + { + type zeroGradient; + } + + side-walls + { + type zeroGradient; + } + + inlet + { + type 0.31018; + } + + outlet + { + type zeroGradient; + } +} + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/CO2 b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/CO2 new file mode 100644 index 00000000..62164e25 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/CO2 @@ -0,0 +1,51 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + location "0"; + object CO2; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [0 0 0 0 0 0 0]; + +internalField uniform 0.064981; // 4%; + +boundaryField +{ + top + { + type zeroGradient; + } + + bottom + { + type zeroGradient; + } + + side-walls + { + type zeroGradient; + } + + inlet + { + type 0.064981; + } + + outlet + { + type zeroGradient; + } +} + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/H2 b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/H2 new file mode 100644 index 00000000..f77da345 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/H2 @@ -0,0 +1,51 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + location "0"; + object H2; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [0 0 0 0 0 0 0]; + +internalField uniform 0.0044638; //6%; + +boundaryField +{ + top + { + type zeroGradient; + } + + bottom + { + type zeroGradient; + } + + side-walls + { + type zeroGradient; + } + + inlet + { + type 0.0044638; + } + + outlet + { + type zeroGradient; + } +} + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/H2O b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/H2O new file mode 100644 index 00000000..56db58c2 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/H2O @@ -0,0 +1,51 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + location "0"; + object H20; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [0 0 0 0 0 0 0]; + +internalField uniform 0.00001; + +boundaryField +{ + top + { + type zeroGradient; + } + + bottom + { + type zeroGradient; + } + + side-walls + { + type zeroGradient; + } + + inlet + { + type 0.00001; + } + + outlet + { + type zeroGradient; + } +} + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/Ksl b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/Ksl new file mode 100644 index 00000000..bc087769 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/Ksl @@ -0,0 +1,51 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 1.6 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + location "0"; + object Ksl; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [1 -3 -1 0 0 0 0]; + +internalField uniform 0.0; + +boundaryField +{ + top + { + type zeroGradient; + } + + bottom + { + type zeroGradient; + } + + side-walls + { + type zeroGradient; + } + + inlet + { + type zeroGradient; + } + + outlet + { + type zeroGradient; + } +} + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/N2 b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/N2 new file mode 100644 index 00000000..a814d650 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/N2 @@ -0,0 +1,51 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + location "0"; + object N2; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [0 0 0 0 0 0 0]; + +internalField uniform 0.62036; //60 %; + +boundaryField +{ + top + { + type zeroGradient; + } + + bottom + { + type zeroGradient; + } + + side-walls + { + type zeroGradient; + } + + inlet + { + type 0.62036; + } + + outlet + { + type zeroGradient; + } +} + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/Qsource b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/Qsource new file mode 100644 index 00000000..64313b48 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/Qsource @@ -0,0 +1,51 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + location "0"; + object Qsource; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [1 -1 -3 0 0 0 0]; + +internalField uniform 0; + +boundaryField +{ + top + { + type zeroGradient; + } + + bottom + { + type zeroGradient; + } + + side-walls + { + type zeroGradient; + } + + inlet + { + type zeroGradient; + } + + outlet + { + type zeroGradient; + } +} + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/T b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/T new file mode 100644 index 00000000..311178fd --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/T @@ -0,0 +1,51 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + location "0"; + object T; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [0 0 0 1 0 0 0]; + +internalField uniform 1223.15; // 950 + 273.15 + +boundaryField +{ + top + { + type zeroGradient; + } + + bottom + { + type zeroGradient; + } + + side-walls + { + type zeroGradient; + } + + inlet + { + type zeroGradient; + } + + outlet + { + type zeroGradient; + } +} + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/U b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/U new file mode 100644 index 00000000..2f6b479f --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/U @@ -0,0 +1,55 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volVectorField; + location "0"; + object U; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [0 1 -1 0 0 0 0]; + +internalField uniform (0.011 0 0);//(0.011 0 0); + +boundaryField +{ + top + { + type slip; +/* type fixedValue; + value uniform (0.0 0 0);*/ + } + bottom + { + type slip; +/* type fixedValue; + value uniform (0.0 0 0);*/ + } + side-walls + { + type slip; +/* type fixedValue; + value uniform (0.0 0 0); */ + } + inlet + { + type fixedValue; + value uniform (0.011 0 0);//(0.011 0 0); + } + + outlet + { + type zeroGradient; + } +} + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/Us b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/Us new file mode 100644 index 00000000..a769f873 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/Us @@ -0,0 +1,48 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 1.6 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volVectorField; + location "0"; + object Us; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [0 1 -1 0 0 0 0]; + +internalField uniform (0 0 0); + +boundaryField +{ + top + { + type zeroGradient; + } + bottom + { + type zeroGradient; + } + side-walls + { + type zeroGradient; + } + + inlet + { + type zeroGradient; + } + + outlet + { + type zeroGradient; + } +} + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/alphat b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/alphat new file mode 100644 index 00000000..5176c807 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/alphat @@ -0,0 +1,47 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + location "0"; + object alphat; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [1 -1 -1 0 0 0 0]; + +internalField uniform 0; + +boundaryField +{ + top + { + type zeroGradient; + } + bottom + { + type zeroGradient; + } + side-walls + { + type zeroGradient; + } + inlet + { + type zeroGradient; + } + outlet + { + type zeroGradient; + } +} + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/epsilon b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/epsilon new file mode 100644 index 00000000..9810c397 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/epsilon @@ -0,0 +1,53 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + location "0"; + object epsilon; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [0 2 -3 0 0 0 0]; + +internalField uniform 0.003; + +boundaryField +{ + top + { + type zeroGradient; + } + bottom + { + type zeroGradient; + } + side-walls + { + type zeroGradient; + } + inlet + { + type zeroGradient; + // If turbulence is present + /* + * type compressible::turbulentMixingLengthDissipationRateInlet; + * mixingLength 0.005; + * value uniform 200; + */ + } + outlet + { + type zeroGradient; + } +} + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/k b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/k new file mode 100644 index 00000000..b076e39a --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/k @@ -0,0 +1,47 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + location "0"; + object k; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [0 2 -2 0 0 0 0]; + +internalField uniform 0.001; + +boundaryField +{ + top + { + type zeroGradient; + } + bottom + { + type zeroGradient; + } + side-walls + { + type zeroGradient; + } + inlet + { + type zeroGradient; + } + outlet + { + type zeroGradient; + } +} + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/mut b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/mut new file mode 100644 index 00000000..612df953 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/mut @@ -0,0 +1,48 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + location "0"; + object mut; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [1 -1 -1 0 0 0 0]; + +internalField uniform 0; + +boundaryField +{ + top + { + type zeroGradient; + } + bottom + { + type zeroGradient; + } + side-walls + { + type zeroGradient; + } + inlet + { + type zeroGradient; + } + + outlet + { + type zeroGradient; + } +} + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/nut b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/nut new file mode 100644 index 00000000..0027f055 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/nut @@ -0,0 +1,51 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 1.6 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + location "0"; + object nut; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [0 2 -1 0 0 0 0]; + +internalField uniform 0; + +boundaryField +{ + top + { + type zeroGradient; + } + + bottom + { + type zeroGradient; + } + + side-walls + { + type zeroGradient; + } + + inlet + { + type zeroGradient; + } + + outlet + { + type zeroGradient; + } +} + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/p b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/p new file mode 100644 index 00000000..f8fe5daa --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/p @@ -0,0 +1,49 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + location "0"; + object p; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [1 -1 -2 0 0 0 0]; + +internalField uniform 101325; + +boundaryField +{ + top + { + type slip; + } + bottom + { + type slip; + } + side-walls + { + type slip; + } + inlet + { + type zeroGradient; + } + + outlet + { + type fixedValue; + value uniform 101325; + } +} + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/p.org b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/p.org new file mode 100644 index 00000000..79709222 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/p.org @@ -0,0 +1,52 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + location "0"; + object p; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [1 -1 -2 0 0 0 0]; + +internalField uniform 101325; + +boundaryField +{ + top + { + type slip; + } + + bottom + { + type slip; + } + + side-walls + { + type slip; + } + + inlet + { + type zeroGradient; + } + + outlet + { + type fixedValue; + value uniform 101325; + } +} + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/rho b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/rho new file mode 100644 index 00000000..dafa6a48 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/rho @@ -0,0 +1,50 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 1.6 | +| \\ / A nd | Web: http://www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + object rho; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [1 -3 0 0 0 0 0]; + +internalField uniform 1.2415; // [for 33CO 3H2 4CO2 60N2]; + +boundaryField +{ + top + { + type zeroGradient; + } + + bottom + { + type zeroGradient; + } + + side-walls + { + type zeroGradient; + } + + inlet + { + type zeroGradient; + } + + outlet + { + type zeroGradient; + } +} + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/voidfraction b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/voidfraction new file mode 100644 index 00000000..fe6297c2 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/voidfraction @@ -0,0 +1,50 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 1.6 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + location "0"; + object voidfraction; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [0 0 0 0 0 0 0]; + +internalField uniform 1; + +boundaryField +{ + top + { + type zeroGradient; + } + + bottom + { + type zeroGradient; + } + + side-walls + { + type zeroGradient; + } + + inlet + { + type zeroGradient; + } + + outlet + { + type zeroGradient; + } +} + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/chemistryProperties b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/chemistryProperties new file mode 100644 index 00000000..57324344 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/chemistryProperties @@ -0,0 +1,41 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + location "constant"; + object chemistryProperties; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +chemistry off; //on; + +chemistryType +{ + chemistrySolver ode; + chemistryThermo rho; +} + +initialChemicalTimeStep 1e-07; + +EulerImplicitCoeffs +{ + cTauChem 0.05; + equilibriumRateLimiter off; +} + +odeCoeffs +{ + solver seulex; + eps 0.05; +} + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/combustionProperties b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/combustionProperties new file mode 100644 index 00000000..fdbb75e6 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/combustionProperties @@ -0,0 +1,33 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + location "constant"; + object combustionProperties; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +combustionModel PaSR; + +active false; //true; + +noCombustionCoeffs +{ +} + +PaSRCoeffs +{ + Cmix 1.0; + turbulentReaction off; +} + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/couplingProperties b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/couplingProperties new file mode 100644 index 00000000..9bd19810 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/couplingProperties @@ -0,0 +1,339 @@ +/*---------------------------------------------------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 1.4 | +| \\ / A nd | Web: http://www.openfoam.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ + + +FoamFile +{ + version 2.0; + format ascii; + + root ""; + case ""; + instance ""; + local ""; + + class dictionary; + object couplingProperties; +} + +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +//===========================================================================// +// sub-models & settings + +//syncMode false; +//verbose; + +modelType "A"; // A or B + +couplingInterval 100; + +voidFractionModel divided;//centre;// + +locateModel engine;//turboEngineM2M;// + +meshMotionModel noMeshMotion; + +regionModel allRegion; + +IOModel basicIO; + +probeModel off; + +dataExchangeModel twoWayMPI;//twoWayM2M;//twoWayFiles;//oneWayVTK;// + +averagingModel dilute; //dense;//// + +clockModel off; //standardClock;//off; + +smoothingModel off; //localPSizeDiffSmoothing;// constDiffSmoothing; // + +forceModels +( + //GidaspowDrag + //BeetstraDrag + //DiFeliceDrag + gradPForce + viscForce + // KochHillDrag + //DEMbasedDrag + //RongDrag + //Archimedes + //volWeightedAverage + //totalMomentumExchange + //particleCellVolume + //fieldTimeAverage + //LaEuScalarTemp +); + +energyModels +( + //energyModel + //heatTransferGunn + //reactionHeat +); + +thermCondModel off;//SyamlalThermCond;//thermCondModel; + +chemistryModels +( + species + diffusionCoefficients + massTransferCoeff + // off +); + +momCoupleModels +( + implicitCouple +); + +turbulenceModelType "turbulenceProperties";//"LESProperties";// + +//===========================================================================// +// sub-model properties +reactionHeatProps +{ + reactionHeatName "reactionHeat"; +} + +speciesProps +{ + ChemistryFile "$casePath/CFD/constant/foam.inp"; + Nevery 1; + verbose true; +} + +diffusionCoefficientsProps +{ + verbose false; + ChemistryFile "$casePath/CFD/constant/foam.inp"; + diffusantGasNames ( CO + H2 + ); +} + +massTransferCoeffProps +{ + verbose false; +} + +SyamlalThermCondProps +{ + voidfractionFieldName "voidfraction"; + rhoFieldName "rho"; +} + +LaEuScalarTempProps +{ + velFieldName "U"; + tempFieldName "T"; + voidfractionFieldName "voidfraction"; + partTempName "Temp"; + partHeatFluxName "convectiveHeatFlux"; + lambda 0.0256; + Cp 1007; +} + +localPSizeDiffSmoothingProps +{ + lowerLimit 0.1; + upperLimit 1e10; + dSmoothingLength 1.5e-3; + Csmoothing 1.0; +} + +constDiffSmoothingProps +{ + lowerLimit 0.1; + upperLimit 1e10; + smoothingLength 1.5e-3; +} + +implicitCoupleProps +{ + velFieldName "U"; + granVelFieldName "Us"; + voidfractionFieldName "voidfraction"; +} + +ArchimedesProps +{ + gravityFieldName "g"; +} + +gradPForceProps +{ + pFieldName "p"; + voidfractionFieldName "voidfraction"; + velocityFieldName "U"; + interpolation true; +} + +viscForceProps +{ + velocityFieldName "U"; + interpolation true; +} + +volWeightedAverageProps +{ + scalarFieldNames + ( + voidfraction + ); + vectorFieldNames + ( + ); + upperThreshold 0.999; + lowerThreshold 0; + verbose true; +} + +totalMomentumExchangeProps +{ + implicitMomExFieldName "Ksl"; + explicitMomExFieldName "none"; + fluidVelFieldName "U"; + granVelFieldName "Us"; +} + +GidaspowDragProps +{ + verbose true; + velFieldName "U"; + voidfractionFieldName "voidfraction"; + interpolation true; + phi 1; +} + +DEMbasedDragProps +{ + velFieldName "U"; + voidfractionFieldName "voidfraction"; +} + +DiFeliceDragProps +{ + //verbose true; + velFieldName "U"; + voidfractionFieldName "voidfraction"; + granVelFieldName "Us"; + interpolation true; +} + +KochHillDragProps +{ + verbose true; + velFieldName "U"; + voidfractionFieldName "voidfraction"; + interpolation true; + //forceSubModels + //( + // ImExCorr + //); + implForceDEM true; + //implForceDEMaccumulated true; + //explicitCorr true; +} + +BeetstraDragProps +{ + velFieldName "U"; + gravityFieldName "g"; + rhoParticle 2000.; + voidfractionFieldName "voidfraction"; + interpolation ; + useFilteredDragModel ; + useParcelSizeDependentFilteredDrag ; + k 0.05; + aLimit 0.0; +// verbose true; +} + +RongDragProps +{ + verbose true; + velFieldName "U"; + voidfractionFieldName "voidfraction"; + interpolation true; + implForceDEM true; + implForceDEMaccumulated true; + granVelFieldName "Us"; +} + +virtualMassForceProps +{ + velFieldName "U"; +} + +particleCellVolumeProps +{ + upperThreshold 0.999; + lowerThreshold 0.; + verbose true; +} + +fieldStoreProps +{ + scalarFieldNames + ( + ); + + vectorFieldNames + ( + "U" + ); +} + +oneWayVTKProps +{ + couplingFilename "vtk_out%4.4d.vtk"; + maxNumberOfParticles 30000; +} + +twoWayFilesProps +{ + maxNumberOfParticles 10100; +} + +centreProps +{ + alphaMin 0.1; +} + +engineProps +{ + treeSearch true; +} + +turboEngineM2MProps +{ + turboEngineProps + { + treeSearch true; + } +} + +dividedProps +{ + alphaMin 0.01; + scaleUpVol 1.0; +} + +twoWayMPIProps +{ + liggghtsPath "../DEM/in.liggghts_run"; +} + +twoWayM2MProps +{ + maxNumberOfParticles 10100; + liggghtsPath "../DEM/in.liggghts_run"; +} +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/foam.dat b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/foam.dat new file mode 100644 index 00000000..2c7c5db9 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/foam.dat @@ -0,0 +1,150 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + location "constant"; + object foam.dat; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // +H2 +{ + specie + { + nMoles 1; + molWeight 2.02; + } + thermodynamics + { + Tlow 200; + Thigh 1700; + Tcommon 1000; + highCpCoeffs ( 2.932831E+00 8.265980E-04 -1.464006E-07 1.540985E-11 -6.887962E-16 -8.130558E+02 -1.024316E+00); + lowCpCoeffs ( 2.344303E+00 7.980425E-03 -1.947792E-05 2.015697E-08 -7.376029E-12 -9.179241E+02 6.830022E-01); + } + transport + { + As 1.67212e-06; + Ts 170.672; + } +} + +CO2 +{ + specie + { + nMoles 1; + molWeight 44.01; + } + thermodynamics + { + Tlow 200; + Thigh 6000; + Tcommon 1000; + highCpCoeffs ( 4.636511E+00 2.741457E-03 -9.958976E-07 1.603867E-10 -9.161986E-15 -4.902490E+04 -1.934896E+00 ); + lowCpCoeffs ( 2.356813E+00 8.984130E-03 -7.122063E-06 2.457301E-09 -1.428855E-13 -4.837197E+04 9.900904E+00 ); + } + transport + { + As 1.67212e-06; + Ts 170.672; + } +} + +O2 +{ + specie + { + nMoles 1; + molWeight 31.9988; + } + thermodynamics + { + Tlow 200; + Thigh 5000; + Tcommon 1000; + highCpCoeffs ( 3.28254 0.00148309 -7.57967e-07 2.09471e-10 -2.16718e-14 -1088.46 5.45323 ); + lowCpCoeffs ( 3.78246 -0.00299673 9.8473e-06 -9.6813e-09 3.24373e-12 -1063.94 3.65768 ); + } + transport + { + As 1.67212e-06; + Ts 170.672; + } +} + +N2 +{ + specie + { + nMoles 1; + molWeight 28.0134; + } + thermodynamics + { + Tlow 200; + Thigh 6000; + Tcommon 1000; + highCpCoeffs ( 2.952541E+00 1.396884E-03 -4.926258E-07 7.860009E-11 -4.607498E-15 -9.239375E+02 5.871822E+00 ); + lowCpCoeffs ( 3.530963E+00 -1.236595E-04 -5.029934E-07 2.435277E-09 -1.408795E-12 -1.046964E+03 2.967439E+00 ); + } + transport + { + As 1.67212e-06; + Ts 170.672; + } +} + +// added CO - Thermo data from combustion.berkeley.edu/gri-mech/data/species/thermo.dat +CO +{ + specie + { + nMoles 1; + molWeight 28.01; + } + thermodynamics + { + Tlow 200; + Thigh 6000; + Tcommon 1000; + highCpCoeffs ( 3.048486E+00 1.351728E-03 -4.857941E-07 7.885364E-11 -4.698075E-15 -1.426612E+04 6.017098E+00 ); + lowCpCoeffs ( 3.579534E+00 -6.103537E-04 1.016814E-06 9.070059E-10 -9.044245E-13 -1.434409E+04 3.508409E+00 ); + } + transport + { + As 1.67212e-06; + Ts 170.672; + } +} + +H2O +{ + specie + { + nMoles 1; + molWeight 18.015; + } + thermodynamics + { + Tlow 200; + Thigh 1700; + Tcommon 1000; + highCpCoeffs ( 3.03399249E+00 2.17691804E-03 -1.64072518E-07 -9.70419870E-11 1.68200992E-14 -3.00042971E+04 4.96677010E+00); + lowCpCoeffs ( 4.19864056E+00 -2.03643410E-03 6.52040211E-06 -5.48797062E-09 1.77197817E-12 -3.02937267E+04 -8.49032208E-01 ); + } + transport + { + As 1.67212e-06; + Ts 170.672; + } +} + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/foam.inp b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/foam.inp new file mode 100644 index 00000000..3c6ddcd0 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/foam.inp @@ -0,0 +1,14 @@ +species +( + H2 + H2O + CO + CO2 + N2 +); + +reactions +{ +} + + diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/g b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/g new file mode 100644 index 00000000..692238d9 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/g @@ -0,0 +1,22 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class uniformDimensionedVectorField; + location "constant"; + object g; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [0 1 -2 0 0 0 0]; +value ( 0 0 0 ); //value ( 0 -9.81 0 ); + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/liggghtsCommands b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/liggghtsCommands new file mode 100644 index 00000000..d9e1ce81 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/liggghtsCommands @@ -0,0 +1,43 @@ +/*---------------------------------------------------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 1.4 | +| \\ / A nd | Web: http://www.openfoam.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ + + +FoamFile +{ + version 2.0; + format ascii; + + root ""; + case ""; + instance ""; + local ""; + + class dictionary; + object liggghtsCommands; +} + +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +liggghtsCommandModels +( + runLiggghts + writeLiggghts +); +// ************************************************************************* // + +/*runLiggghtsProps +{ + preNo false; +}*/ + +writeLiggghtsProps +{ + writeLast off; + writeName "post/restart/liggghts.restartCFDEM"; + overwrite on; +} diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/polyMesh/blockMeshDict b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/polyMesh/blockMeshDict new file mode 100644 index 00000000..024f6e99 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/polyMesh/blockMeshDict @@ -0,0 +1,91 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + location "constant/polyMesh"; + object blockMeshDict; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +convertToMeters 1.0; + +vertices +( + (0 0 0) + (1.5 0 0) + (1.5 0.5 0) + (0 0.5 0) + (0 0 0.5) + (1.5 0 0.5) + (1.5 0.5 0.5) + (0 0.5 0.5) +); + +blocks +( + hex (0 1 2 3 4 5 6 7)(29 9 9) simpleGrading (1 1 1) + +); + +edges +( +); + +boundary +( + top + { + type wall; + faces + ( + (3 7 6 2) + ); + } + bottom + { + type wall; + faces + ( + (1 5 4 0) + ); + } + side-walls + { + type wall; + faces + ( + (0 3 2 1) + (4 5 6 7) + ); + } + inlet + { + type patch; + faces + ( + (0 4 7 3) + ); + } + outlet + { + type patch; + faces + ( + (2 6 5 1) + ); + } +); + +mergePatchPairs +( +); + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/thermophysicalProperties b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/thermophysicalProperties new file mode 100644 index 00000000..354a9251 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/thermophysicalProperties @@ -0,0 +1,66 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + location "constant"; + object thermophysicalProperties; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +thermoType +{ + type heRhoThermo; + mixture reactingMixture; //species and reactions are listed in chemistry file + transport sutherland; //calcualtes viscosity as a function of temperature from Stuherland coefficient As and Ts + thermo janaf; + energy sensibleEnthalpy; //uses enthaly in the solution + equationOfState perfectGas; + specie specie; +} + +chemistryReader foamChemistryReader; + +foamChemistryThermoFile "$casePath/CFD/constant/foam.dat"; + +foamChemistryFile "$casePath/CFD/constant/foam.inp"; + +inertSpecie N2; +/*liquids +{ + H2O + { + defaultCoeffs yes; + } +} + +solids +{ + C + { + defaultCoeffs no; + // if defaultCoeffs no properties should be : + CCoeffs + { + rho 2010; + Cp 710; + K 0.04; + Hf 0; + emissivity 1.0; + } + } + ash + { + defaultCoeffs yes; + } +} */ + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/transportProperties b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/transportProperties new file mode 100644 index 00000000..63d0caa2 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/transportProperties @@ -0,0 +1,43 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 1.6 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + location "constant"; + object transportProperties; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +transportModel Newtonian; + +nu nu [ 0 2 -1 0 0 0 0 ] 1.4117e-05; // kinematic viscosity of gas mixture + +kf kf [ 1 1 -3 -1 0 0 0 ] 0; // comes from energy model + +Cp Cp [ 0 2 -2 -1 0 0 0 ] 1; // comes from energy model + +// ******* Non-Newtonian transport properties ************************ // +/*CrossPowerLawCoeffs +{ + nu0 nu0 [ 0 2 -1 0 0 0 0 ] 1e-06; + nuInf nuInf [ 0 2 -1 0 0 0 0 ] 1e-06; + m m [ 0 0 1 0 0 0 0 ] 1; + n n [ 0 0 0 0 0 0 0 ] 1; +} + +BirdCarreauCoeffs +{ + nu0 nu0 [ 0 2 -1 0 0 0 0 ] 1e-06; + nuInf nuInf [ 0 2 -1 0 0 0 0 ] 1e-06; + k k [ 0 0 1 0 0 0 0 ] 0; + n n [ 0 0 0 0 0 0 0 ] 1; +} +*/ +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/turbulenceProperties b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/turbulenceProperties new file mode 100644 index 00000000..d1156961 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/turbulenceProperties @@ -0,0 +1,20 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + location "constant"; + object turbulenceProperties; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +simulationType laminar; + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/system/controlDict b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/system/controlDict new file mode 100644 index 00000000..f70dd011 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/system/controlDict @@ -0,0 +1,117 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + location "system"; + object controlDict; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +application cfdemSolverRhoPimpleChem; + +startFrom startTime; + +startTime 0; + +stopAt endTime; + +endTime 11000.0; + +deltaT 1; + +writeControl runTime; + +writeInterval 1000; + +purgeWrite 0; + +writeFormat ascii; + +writePrecision 10; + +writeCompression off; + +timeFormat general; + +timePrecision 6; + +runTimeModifiable false; + +adjustTimeStep no; + +maxCo 0.5; + +maxDeltaT 0.1; + + +// ************************************************************************* // + libs ( + "libfieldFunctionObjects.so" + ); + +functions +{ + moleFrac + { + type rhoReactionThermoMoleFractions; + } + + probes1 + { + type probes; + + functionObjectLibs ("libsampling.so"); + + #include "probesDict"; + } + + globalMassFrac + { + type volRegion; + libs ("libfieldFunctionObjects.so"); + writeControl timeStep;//outputTime; + writeInterval 1; + log true; + writeFields false; + regionType all; + name c0; + operation weightedVolAverage; + weightField rhoeps; + fields + ( + H2 + CO2 + CO + N2 + H2O + ); + } + + globalMass + { + type volRegion; + libs ("libfieldFunctionObjects.so"); + writeControl timeStep;//outputTime; + writeInterval 1; + log true; + writeFields false; + regionType all; + name c1; + operation volIntegrate; + fields + ( + rhoeps + rho + ); + } +} + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/system/decomposeParDict b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/system/decomposeParDict new file mode 100644 index 00000000..c5dcd7c4 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/system/decomposeParDict @@ -0,0 +1,46 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + location "system"; + object decomposeParDict; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +numberOfSubdomains 2; + +//method scotch; +method simple; + +simpleCoeffs +{ + n (2 1 1); + delta 0.001; +} + +hierarchicalCoeffs +{ + n ( 1 1 1 ); + delta 0.001; + order xyz; +} + +manualCoeffs +{ + dataFile ""; +} + +distributed no; + +roots ( ); + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/system/fvSchemes b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/system/fvSchemes new file mode 100644 index 00000000..4404d9c3 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/system/fvSchemes @@ -0,0 +1,68 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + location "system"; + object fvSchemes; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +ddtSchemes +{ + default Euler; +} + +gradSchemes +{ + default Gauss linear; +} + +divSchemes +{ + default none; + + div(phi,U) Gauss linear; //Gauss upwind; + div(phid,p) Gauss linear; //Gauss upwind; + div(phi,K) Gauss linear; + div(phi,h) Gauss upwind; + div(phi,k) Gauss upwind; + div(phi,epsilon) Gauss upwind; + div(U) Gauss linear; + div(phi,Yi_h) Gauss upwind; + // div((muEff*dev2(T(grad(U))))) Gauss linear; + div((viscousTerm*dev2(grad(U).T()))) Gauss linear; + div((thermo:mu*dev(grad(U).T()))) Gauss linear; + div((nuEff*dev2(T(grad(U))))) Gauss linear; +} + +laplacianSchemes +{ + default Gauss linear orthogonal; +} + +interpolationSchemes +{ + default linear; +} + +snGradSchemes +{ + default orthogonal; +} + +fluxRequired +{ + default no; + p ; +} + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/system/fvSolution b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/system/fvSolution new file mode 100644 index 00000000..bce370f9 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/system/fvSolution @@ -0,0 +1,109 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + location "system"; + object fvSolution; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +solvers +{ + "(rho|G)" + { + solver PCG; + preconditioner DIC; + tolerance 1e-05; + relTol 0.1; + } + + "(rho|G)Final" + { + $rho; + tolerance 1e-05; + relTol 0; + } + + p + { + solver GAMG; + tolerance 1e-06; + relTol 0.01; + smoother GaussSeidel; + nPreSweeps 0; + nPostSweeps 2; + nFinestSweeps 2; + cacheAgglomeration on; + nCellsInCoarsestLevel 10; + agglomerator faceAreaPair; + mergeLevels 1; + } + + pFinal + { + $p; + tolerance 1e-06; + relTol 0; + } + + "(U|h|R|k|epsilon)" + { + solver smoothSolver; + smoother symGaussSeidel; + tolerance 1e-05; + relTol 0.1; + } + + "(U|h|R|k|epsilon)Final" + { + $U; + tolerance 1e-05; + relTol 0; + } + + "(Yi|CO|CO2|H2|H2O)" + { + $h; + } + + "(Yi|CO|CO2|H2|H2O)Final" + { + $Yi; + tolerance 1e-06; + relTol 0; + } +} + +PIMPLE +{ + momentumPredictor yes; + nOuterCorrectors 2; + nCorrectors 1; + nNonOrthogonalCorrectors 0; + rhoMin rhoMin [ 1 -3 0 0 0 ] 0.2; + rhoMax rhoMax [ 1 -3 0 0 0 ] 2.5; +} + +/* +relaxationFactors +{ + fields + { + ".*" 1; + } + equations + { + ".*" 1; + } +} + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/system/probesDict b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/system/probesDict new file mode 100644 index 00000000..a812824b --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/system/probesDict @@ -0,0 +1,54 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \ / O peration | Version: 2.1.x | +| \ / A nd | Web: www.OpenFOAM.org | +| \/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + object probesDict; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + + + +fields +( + rho + p + T + molC + N2 + CO2 + CO + H2 + H2O + ModSpeciesMassField_N2 + ModSpeciesMassField_CO2 + ModSpeciesMassField_CO + ModSpeciesMassField_H2 + ModSpeciesMassField_H2O + X_CO + X_CO2 + X_H2 + X_N2 + X_H2O +); + +writeControl timeStep; +writeInterval 10; + + +// Locations to be probed. +probeLocations +( + (7.0 2.5 2.5) + (8.0 2.5 2.5) + (1.0 2.5 2.5) +); + +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/DEM/in.liggghts_init b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/DEM/in.liggghts_init new file mode 100644 index 00000000..e09a168f --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/DEM/in.liggghts_init @@ -0,0 +1,58 @@ +# Particle insertion into domain +atom_style granular +atom_modify map array +echo both + +communicate single vel yes + +boundary f f f +newton off + +units si +processors 2 1 1 + +region reg block 0. 1.5 0. 0.5 0. 0.5 units box +create_box 1 reg + +neighbor 0.0005 bin +neigh_modify delay 0 + +# Material properties required for granular pair styles +fix m1 all property/global youngsModulus peratomtype 5.e6 +fix m2 all property/global poissonsRatio peratomtype 0.45 +fix m3 all property/global coefficientRestitution peratomtypepair 1 0.3 +fix m4 all property/global coefficientFriction peratomtypepair 1 0.5 + +# pair style +pair_style gran model hertz tangential history # Hertzian without cohesion +pair_coeff * * + +# timestep, gravity +timestep 1e-2 +fix gravi all gravity 0.0 vector 0.0 -1.0 0.0 + +# walls +fix xwalls1 all wall/gran model hertz tangential history primitive type 1 xplane 0.0 +fix xwalls2 all wall/gran model hertz tangential history primitive type 1 xplane 1.5 +fix ywalls1 all wall/gran model hertz tangential history primitive type 1 yplane 0.0 +fix ywalls2 all wall/gran model hertz tangential history primitive type 1 yplane 0.5 +fix zwalls1 all wall/gran model hertz tangential history primitive type 1 zplane 0.0 +fix zwalls2 all wall/gran model hertz tangential history primitive type 1 zplane 0.5 + +# create single particle in a specific spot +create_atoms 1 single 0.75 0.25 0.25 units box +set atom 1 diameter 0.01106028 density 5135.2 vx 0 vy 0 vz 0 + +# screen output +compute rke all erotate/sphere +thermo_style custom step atoms ke c_rke vol +thermo 1000 +thermo_modify lost ignore norm no +compute_modify thermo_temp dynamic yes + +# insert the first particles so that dump is not empty +run 1 +dump dmp all custom 100 post/dump.liggghts_init id type x y z ix iy iz vx vy vz fx fy fz omegax omegay omegaz radius + +run 10000 upto +write_restart ../DEM/post/restart/liggghts.restart diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/DEM/in.liggghts_run b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/DEM/in.liggghts_run new file mode 100644 index 00000000..a0f3a400 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/DEM/in.liggghts_run @@ -0,0 +1,177 @@ +# Pour granular particles into chute container, then induce flow +log ../DEM/log.liggghts +thermo_log ../DEM/post/thermo.txt + +atom_style granular +atom_modify map array +communicate single vel yes + +boundary f f f +newton off + +units si +processors 2 1 1 + +# read the restart file +read_restart ../DEM/post/restart/liggghts.restart + +neighbor 0.0005 bin +neigh_modify delay 0 binsize 0.01 + +# Material properties required for granular pair styles + +fix m1 all property/global youngsModulus peratomtype 5.e6 +fix m2 all property/global poissonsRatio peratomtype 0.45 +fix m3 all property/global coefficientRestitution peratomtypepair 1 0.3 +fix m4 all property/global coefficientFriction peratomtypepair 1 0.5 + +# pair style +pair_style gran model hertz tangential history # Hertzian without cohesion +pair_coeff * * + +# timestep, gravity +timestep 1e-2 +fix gravi all gravity 0.0 vector 0.0 -1.0 0.0 + +# walls +fix xwalls1 all wall/gran model hertz tangential history primitive type 1 xplane 0.0 +fix xwalls2 all wall/gran model hertz tangential history primitive type 1 xplane 1.5 +fix ywalls1 all wall/gran model hertz tangential history primitive type 1 yplane 0.0 +fix ywalls2 all wall/gran model hertz tangential history primitive type 1 yplane 0.5 +fix zwalls1 all wall/gran model hertz tangential history primitive type 1 zplane 0.0 +fix zwalls2 all wall/gran model hertz tangential history primitive type 1 zplane 0.5 + +############################################### + +# cfd coupling +fix cfd all couple/cfd couple_every 100 mpi +fix cfd2 all couple/cfd/force + +# this should invoke chemistry +fix cfd3 all couple/cfd/chemistry n_species 5 species_names H2 H2O CO CO2 N2 + +# Activate for 3-layer unreacted core shrink model +fix cfd5 all chem/shrink/core speciesA CO molMassA 0.02801 speciesC CO2 molMassC 0.04401 kch2 0.375161 screen no nevery 1 +fix cfd6 all chem/shrink/core speciesA H2 molMassA 0.00202 speciesC H2O molMassC 0.01801 kch2 0.0044738 screen no nevery 1 +#0.34 +#0.06 + + +# Chemical properties for unreacted shrink core (activate only when chem/shrink/core is active) +fix k0_CO all property/global k0_cfd5 vector 17 25 2700 +fix Ea_CO all property/global Ea_cfd5 vector 69488 73674 113859 + +fix k0_H2 all property/global k0_cfd6 vector 30 23 160 +fix Ea_H2 all property/global Ea_cfd6 vector 63627 71162 92092 + +# particle porosity/tortuosity/pore diameter +fix porosity all property/atom porosity_ vector yes no no 0.598 0.2122 0.0399 0.02 +fix tortuosity all property/global tortuosity_ scalar 3 +fix pore_diameter all property/global pore_diameter_ scalar 1e-6 + +# Material properties for unreacted chemical shrink core (activate only when chem/shrink/core is active) +fix density all property/global density_all vector 7870 5740 5170 5240 +fix molMass all property/global molMass_all vector 0.055845 0.071844 0.231532 0.1596882 + +# define layer radius +fix layerRelRad all property/atom relRadii vector yes no no 1.0 0.998 0.995 0.98 + +# define fix for mass layer - initial testing +fix massLayer all property/atom massLayer vector no no no 0. 0. 0. 0. + +## debug fixes ## +# fix to compute fracRed +fix fracRed all property/atom fracRed vector yes no no 0. 0. 0. +fix Aterm all property/atom Aterm vector yes no no 0. 0. 0. +fix Bterm all property/atom Bterm vector yes no no 0. 0. 0. +fix Massterm all property/atom Massterm scalar yes no no 0. +fix effDiffBinary all property/atom effDiffBinary vector yes no no 0. 0. 0. +fix effDiffKnud all property/atom effDiffKnud vector yes no no 0. 0. 0. + +# apply nve integration to all particles that are inserted as single particles +# fix integr all nve/sphere + +############################################### + +variable time equal step*dt +variable m1 equal mass[1] +variable rp equal radius[1] +variable rho1 equal mass[1]/((4/3)*PI*radius[1]*radius[1]*radius[1]) +fix printmass all print 1000 "${time} ${m1} ${rho1} ${rp}" file mass_rho_rad.txt title "#time mass rho rad_par" + +compute layerRad1 all reduce sum f_layerRelRad[1] +fix redRad1 all ave/time 1000 1 1000 c_layerRad1 file relRad1.dat + +compute layerRad2 all reduce sum f_layerRelRad[2] +fix redRad2 all ave/time 1000 1 1000 c_layerRad2 file relRad2.dat + +compute layerRad3 all reduce sum f_layerRelRad[3] +fix redRad3 all ave/time 1000 1 1000 c_layerRad3 file relRad3.dat + +compute layerRad4 all reduce sum f_layerRelRad[4] +fix redRad4 all ave/time 1000 1 1000 c_layerRad4 file relRad4.dat + +#### give information to file +compute Aterm_red all reduce sum f_Aterm[1] f_Aterm[2] f_Aterm[3] +fix Aterm1 all ave/time 100 1 100 c_Aterm_red[1] c_Aterm_red[2] c_Aterm_red[3] +variable a1 equal f_Aterm1[1] +variable a2 equal f_Aterm1[2] +variable a3 equal f_Aterm1[3] + +compute Bterm_red all reduce sum f_Bterm[1] f_Bterm[2] f_Bterm[3] +fix Bterm1 all ave/time 100 1 100 c_Bterm_red[1] c_Bterm_red[2] c_Bterm_red[3] +variable b1 equal f_Bterm1[1] +variable b2 equal f_Bterm1[2] +variable b3 equal f_Bterm1[3] + +compute Massterm_red all reduce sum f_Massterm +fix Massterm1 all ave/time 100 1 100 c_Massterm_red +variable mt1 equal f_Massterm1 + +compute fracRedTerm all reduce sum f_fracRed[1] f_fracRed[2] f_fracRed[3] +fix fracRed1 all ave/time 100 1 100 c_fracRedTerm[1] c_fracRedTerm[2] c_fracRedTerm[3] +variable fr1 equal f_fracRed1[1] +variable fr2 equal f_fracRed1[2] +variable fr3 equal f_fracRed1[3] + +compute effDiffBinary_red all reduce sum f_effDiffBinary[1] f_effDiffBinary[2] f_effDiffBinary[3] +fix effDiffBinary1 all ave/time 1000 1 1000 c_effDiffBinary_red[1] c_effDiffBinary_red[2] c_effDiffBinary_red[3] +variable dij1 equal f_effDiffBinary1[1] +variable dij2 equal f_effDiffBinary1[2] +variable dij3 equal f_effDiffBinary1[3] + +compute effDiffKnud_red all reduce sum f_effDiffKnud[1] f_effDiffKnud[2] f_effDiffKnud[3] +fix effDiffKnud1 all ave/time 1000 1 1000 c_effDiffKnud_red[1] c_effDiffKnud_red[2] c_effDiffKnud_red[3] +variable dik1 equal f_effDiffKnud1[1] +variable dik2 equal f_effDiffKnud1[2] +variable dik3 equal f_effDiffKnud1[3] + +compute porosity_red all reduce sum f_porosity[1] f_porosity[2] f_porosity[3] f_porosity[4] +fix porosity1 all ave/time 1000 1 1000 c_porosity_red[1] c_porosity_red[2] c_porosity_red[3] c_porosity_red[4] +variable p1 equal f_porosity1[1] +variable p2 equal f_porosity1[2] +variable p3 equal f_porosity1[3] +variable p4 equal f_porosity1[4] + +compute mass_layer all reduce sum f_massLayer[1] f_massLayer[2] f_massLayer[3] f_massLayer[4] +fix massLayerPrintout all ave/time 100 1 100 c_mass_layer[1] c_mass_layer[2] c_mass_layer[3] c_mass_layer[4] +variable mL1 equal f_massLayerPrintout[1] +variable mL2 equal f_massLayerPrintout[2] +variable mL3 equal f_massLayerPrintout[3] +variable mL4 equal f_massLayerPrintout[4] + +fix printOutput all print 100 "${time} ${a1} ${a2} ${a3} ${b1} ${b2} ${b3} ${mt1} ${fr1} ${fr2} ${fr3}" file Output.dat title "#time a1 a2 a3 b1 b2 b3 mt1 fr1 fr2 fr3" +fix printDiffTerms all print 1000 "${time} ${dij1} ${dij2} ${dij3} ${dik1} ${dik2} ${dik3} ${p1} ${p2} ${p3} ${p4}" file DiffTerm.dat title "#time dij1 dij2 dij3 dik1 dik2 dik3 p_fe p_w p_m p_h" +fix printMassLayer all print 100 "${time} ${mL1} ${mL2} ${mL3} ${mL4}" file MassLayers.dat title "#time mL_Fe mL_w mL_m mL_h" + +############################################### +# screen output +compute rke all erotate/sphere +thermo_style custom step atoms ke c_rke vol +thermo 1000 +thermo_modify lost ignore norm no +compute_modify thermo_temp dynamic yes + +dump dmp all custom 10000 ../DEM/post/dump.liggghts_run id type x y z ix iy iz vx vy vz fx fy fz omegax omegay omegaz radius + +run 1 diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/parCFDDEMrun.sh b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/parCFDDEMrun.sh new file mode 100644 index 00000000..5f3c7996 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/parCFDDEMrun.sh @@ -0,0 +1,96 @@ +#!/bin/bash + +#===================================================================# +# allrun script for testcase as part of test routine +# run settlingTest CFD part +# Christoph Goniva - Feb. 2011 +#===================================================================# + +#- source CFDEM env vars +. ~/.bashrc + +#- include functions +source $CFDEM_PROJECT_DIR/etc/functions.sh + +#--------------------------------------------------------------------------------# +#- define variables +casePath="$(dirname "$(readlink -f ${BASH_SOURCE[0]})")" +logpath=$casePath +headerText="test_case_Valipour_2009" +logfileName="log_$headerText" +solverName="cfdemSolverRhoPimpleChem" +nrProcs="2" +machineFileName="none" # yourMachinefileName | none +debugMode="off" # on | off| strict +testHarnessPath="$CFDEM_TEST_HARNESS_PATH" +runOctave="false" +postproc="true" + +#--------------------------------------------------------------------------------# + +#- call function to run a parallel CFD-DEM case +parCFDDEMrun $logpath $logfileName $casePath $headerText $solverName $nrProcs $machineFileName $debugMode + + +if [ $runOctave == "true" ] + then + #------------------------------# + # octave + + #- change path + cd octave + + #- rmove old graph + rm cfdemSolverPiso_ErgunTestMPI.eps + + #- run octave + octave totalPressureDrop.m + + #- show plot + evince cfdemSolverPiso_ErgunTestMPI.eps + + #- copy log file to test harness + cp ../../$logfileName $testHarnessPath + cp cfdemSolverPiso_ErgunTestMPI.eps $testHarnessPath +fi + +if [ $postproc == "true" ] + then + + #- keep terminal open (if started in new terminal) + echo "simulation finished? ...press enter to proceed" + read + + #- get VTK data from liggghts dump file + cd $casePath/DEM/post + python -i $CFDEM_LPP_DIR/lpp.py dump*.liggghts_run + + #- get VTK data from CFD sim + cd $casePath/CFD + reconstructPar + foamToVTK #- serial run of foamToVTK + #source $CFDEM_SRC_DIR/lagrangian/cfdemParticle/etc/functions.sh #- include functions + #pseudoParallelRun "foamToVTK" $nrPostProcProcessors #- pseudo parallel run of foamToVTK + + #- start paraview + paraview + + #- keep terminal open (if started in new terminal) + echo "...press enter to clean up case" + echo "press Ctr+C to keep data" + read + +fi + +#- clean up case +#echo "deleting data at: $casePath :\n" +#source $WM_PROJECT_DIR/bin/tools/CleanFunctions +#cd $casePath/CFD +#cleanCase +#rm -r $casePath/CFD/clockData +#rm $casePath/DEM/post/*.* +#touch $casePath/DEM/post/.gitignore +#rm $casePath/DEM/post/restart/*.* +#rm $casePath/DEM/post/restart/liggghts.restartCFDEM* +#touch $casePath/DEM/post/restart/.gitignore +#echo "done" diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/parDEMrun.sh b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/parDEMrun.sh new file mode 100755 index 00000000..3b9653f8 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/parDEMrun.sh @@ -0,0 +1,30 @@ +#!/bin/bash + +#===================================================================# +# DEMrun script for ErgunTestMPI testcase +# init ErgunTestMPI +# Christoph Goniva - July 2014 +#===================================================================# + +#- source CFDEM env vars +. ~/.bashrc + +#- include functions +source $CFDEM_PROJECT_DIR/etc/functions.sh + +echo "starting DEM run in parallel..." +#--------------------------------------------------------------------------------# +#- define variables +casePath="$(dirname "$(readlink -f ${BASH_SOURCE[0]})")" +logpath="$casePath" +headerText="run_liggghts_init_DEM" +logfileName="log_$headerText" +solverName="in.liggghts_init" +nrProcs=2 +machineFileName="none" +debugMode="off" +#--------------------------------------------------------------------------------# + +#- call function to run DEM case +parDEMrun $logpath $logfileName $casePath $headerText $solverName $nrProcs $machineFileName $debugMode + diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/postproc.sh b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/postproc.sh new file mode 100644 index 00000000..5960c13b --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/postproc.sh @@ -0,0 +1,18 @@ +#!/bin/bash + +#grep "dmB\[0]" log_test_case > dmB0.dat +#grep "dmB\[1]" log_test_case > dmB1.dat +#grep "dmB\[2]" log_test_case > dmB2.dat +#grep "dmB\[3]" log_test_case > dmB3.dat +#grep -n "pre-layerMass[0]:" log_3layerUnreactedShrinkingCore > pre_particle_mass0.dat +#grep -n "pre-layerMass[1]:" log_3layerUnreactedShrinkingCore > pre_particle_mass1.dat +#grep -n "pre-layerMass[2]:" log_3layerUnreactedShrinkingCore > pre_particle_mass2.dat +#grep -n "pre-layerMass[3]:" log_3layerUnreactedShrinkingCore > pre_particle_mass3.dat +grep -n "post-layerMass[0]:" log_test_case > post_particle_mass0.dat +grep -n "post-layerMass[1]:" log_test_case > post_particle_mass1.dat +grep -n "post-layerMass[2]:" log_test_case > post_particle_mass2.dat +grep -n "post-layerMass[3]:" log_test_case > post_particle_mass3.dat +#grep -n "x0_eq :" log_3layerUnreactedShrinkingCore > x0_eq_values.dat +#grep -n "x0_:" log_3layerUnreactedShrinkingCore > x0_values.dat +#grep -n "dY_" log_3layerUnreactedShrinkingCore > delta_reduction_rate.dat +#grep -n "dmA_" log_3layerUnreactedShrinkingCore > layer_mass_transfer.dat diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/postrun.sh b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/postrun.sh new file mode 100755 index 00000000..2a474cc3 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/postrun.sh @@ -0,0 +1,2 @@ +#!/bin/bash +# nothing to see here \ No newline at end of file diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/prerun.sh b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/prerun.sh new file mode 100755 index 00000000..7b370ae7 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/prerun.sh @@ -0,0 +1,13 @@ +#!/bin/bash + +#- define variables +casePath="$(dirname "$(readlink -f ${BASH_SOURCE[0]})")" + +# check if mesh was built +if [ -f "$casePath/CFD/constant/polyMesh/boundary" ]; then + echo "mesh was built before - using old mesh" +else + echo "mesh needs to be built" + cd $casePath/CFD + blockMesh +fi \ No newline at end of file diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/run.config b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/run.config new file mode 100644 index 00000000..9091b486 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/run.config @@ -0,0 +1,19 @@ +{ + "type" : "CFDEMcoupling", + "runs" : [ + { + "name" : "liggghts-init", + "input_script" : "DEM/in.liggghts_init", + "type" : "liggghts/serial" + }, + { + "name" : "cfdemrun", + "depends_on" : "liggghts-init", + "solver" : "cfdemSolverPiso", + "type" : "CFDEMcoupling/mpi", + "nprocs" : 2, + "pre_scripts" : ["prerun.sh"], + "post_scripts" : ["postrun.sh"] + } + ] +} diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/runTestCase b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/runTestCase new file mode 100644 index 00000000..cf006228 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/runTestCase @@ -0,0 +1,19 @@ +#!/bin/bash +#PBS -o fb.out +#PBS -V +#PBS -k oe +#PBS -j oe +#PBS -l nodes=1:ppn=4 +#PBS -l walltime=24:00:00 +#PBS -m ae +#PBS -M mustafa_efe.kinaci@jku.at + +source ~/.bashrc +source /apps/openfoam-4.0/OpenFOAM-4.x-version-4.0/etc/bashrc +source $HOME/CFDEM/CFDEMcoupling/etc/bashrc +module add icc gcc + +caseDir=$HOME/CFDEM/CFDEMcoupling/tutorials/cfdemSolverRhoPimpleChem/test_case +cd $caseDir + +./Allrun.sh From b841abd46f433381b2933985a62b93e9421ab726 Mon Sep 17 00:00:00 2001 From: ekinaci Date: Fri, 12 Oct 2018 12:07:16 +0200 Subject: [PATCH 11/92] Remove implicit term, add information outputs for Qsource/coeff and Cpv --- applications/solvers/cfdemSolverRhoPimpleChem/EEqn.H | 10 ++++++++-- 1 file changed, 8 insertions(+), 2 deletions(-) diff --git a/applications/solvers/cfdemSolverRhoPimpleChem/EEqn.H b/applications/solvers/cfdemSolverRhoPimpleChem/EEqn.H index edb4081f..67f6284e 100644 --- a/applications/solvers/cfdemSolverRhoPimpleChem/EEqn.H +++ b/applications/solvers/cfdemSolverRhoPimpleChem/EEqn.H @@ -25,7 +25,7 @@ fvScalarMatrix EEqn ) // net heat transfer from particles to fluid - Qsource - - fvm::Sp(QCoeff/Cpv, he) + // - fvm::Sp(QCoeff/Cpv, he) // thermal conduction of the fluid with effective conductivity - fvm::laplacian(voidfraction*thCond/Cpv,he) // + particle-fluid energy transfer due to work @@ -44,8 +44,14 @@ fvScalarMatrix EEqn fvOptions.correct(he); thermo.correct(); - + + Info << "Qsource :" << max(Qsource).value() << " " << min(Qsource).value() << endl; + Info << "QCoeff :" << max(QCoeff).value() << " " << min(QCoeff).value() << endl; + Info << "Cpv :" << max(Cpv).value() << " " << min(Cpv).value() << endl; Info<< "T max/min : " << max(T).value() << " " << min(T).value() << endl; Info << "he min/max : " << max(he).value() << " " << min(he).value() << endl; + particleCloud.clockM().start(31,"energySolve"); + particleCloud.solve(); + particleCloud.clockM().stop("energySolve"); } From 953cdb5b8b946b0f7f6986f2cc47c1a597e2f08b Mon Sep 17 00:00:00 2001 From: ekinaci Date: Fri, 12 Oct 2018 12:08:14 +0200 Subject: [PATCH 12/92] renaming to avoid same nameing --- .../subModels/energyModel/heatTransferGunn/heatTransferGunn.C | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/src/lagrangian/cfdemParticle/subModels/energyModel/heatTransferGunn/heatTransferGunn.C b/src/lagrangian/cfdemParticle/subModels/energyModel/heatTransferGunn/heatTransferGunn.C index 47530705..8905b001 100644 --- a/src/lagrangian/cfdemParticle/subModels/energyModel/heatTransferGunn/heatTransferGunn.C +++ b/src/lagrangian/cfdemParticle/subModels/energyModel/heatTransferGunn/heatTransferGunn.C @@ -418,11 +418,11 @@ void heatTransferGunn::addEnergyContribution(volScalarField& Qsource) const Qsource += QPartFluid_; } -void heatTransferGunn::addEnergyCoefficient(volScalarField& Qsource) const +void heatTransferGunn::addEnergyCoefficient(volScalarField& Qcoeff) const { if(implicit_) { - Qsource += QPartFluidCoeff_; + Qcoeff += QPartFluidCoeff_; } } From bd444010bcc64b161af8461cc00ada690843d1dc Mon Sep 17 00:00:00 2001 From: ekinaci Date: Thu, 8 Nov 2018 16:06:56 +0100 Subject: [PATCH 13/92] Add info output about heat source and specific heat --- applications/solvers/cfdemSolverRhoPimple/EEqn.H | 3 +++ 1 file changed, 3 insertions(+) diff --git a/applications/solvers/cfdemSolverRhoPimple/EEqn.H b/applications/solvers/cfdemSolverRhoPimple/EEqn.H index b2a30416..7ff73c1c 100644 --- a/applications/solvers/cfdemSolverRhoPimple/EEqn.H +++ b/applications/solvers/cfdemSolverRhoPimple/EEqn.H @@ -51,6 +51,9 @@ thermo.correct(); + Info << "Qsource" << max(Qsource).value() << " " << min(Qsource).value() << endl; + Info << "QCoeff" << max(QCoeff).value() << " " << min(QCoeff).value() << endl; + Info << "Cpv" << max(Cpv).value() << " " << min(Cpv).value() << endl; Info<< "T max/min : " << max(T).value() << " " << min(T).value() << endl; particleCloud.clockM().start(31,"energySolve"); From e9a3b544c068b5d1b5163c118afbe7e14958b882 Mon Sep 17 00:00:00 2001 From: ekinaci Date: Thu, 8 Nov 2018 16:07:31 +0100 Subject: [PATCH 14/92] Revert to implicit --- applications/solvers/cfdemSolverRhoPimpleChem/EEqn.H | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/applications/solvers/cfdemSolverRhoPimpleChem/EEqn.H b/applications/solvers/cfdemSolverRhoPimpleChem/EEqn.H index 67f6284e..7a63e332 100644 --- a/applications/solvers/cfdemSolverRhoPimpleChem/EEqn.H +++ b/applications/solvers/cfdemSolverRhoPimpleChem/EEqn.H @@ -25,7 +25,7 @@ fvScalarMatrix EEqn ) // net heat transfer from particles to fluid - Qsource - // - fvm::Sp(QCoeff/Cpv, he) + - fvm::Sp(QCoeff/Cpv, he) // thermal conduction of the fluid with effective conductivity - fvm::laplacian(voidfraction*thCond/Cpv,he) // + particle-fluid energy transfer due to work @@ -48,7 +48,7 @@ fvScalarMatrix EEqn Info << "Qsource :" << max(Qsource).value() << " " << min(Qsource).value() << endl; Info << "QCoeff :" << max(QCoeff).value() << " " << min(QCoeff).value() << endl; Info << "Cpv :" << max(Cpv).value() << " " << min(Cpv).value() << endl; - Info<< "T max/min : " << max(T).value() << " " << min(T).value() << endl; + Info<< "T max/min : " << max(T).value() << " " << min(T).value() << endl; Info << "he min/max : " << max(he).value() << " " << min(he).value() << endl; particleCloud.clockM().start(31,"energySolve"); From 2c476432c9088253825001393eda59a8d2231c67 Mon Sep 17 00:00:00 2001 From: ekinaci Date: Thu, 8 Nov 2018 16:08:02 +0100 Subject: [PATCH 15/92] remove the need for createFieldRefs --- .../cfdemSolverRhoPimpleChem.C | 2 +- .../cfdemSolverRhoPimpleChem/createFields.H | 26 ++++--------------- 2 files changed, 6 insertions(+), 22 deletions(-) diff --git a/applications/solvers/cfdemSolverRhoPimpleChem/cfdemSolverRhoPimpleChem.C b/applications/solvers/cfdemSolverRhoPimpleChem/cfdemSolverRhoPimpleChem.C index 762a1cbc..33f9901b 100644 --- a/applications/solvers/cfdemSolverRhoPimpleChem/cfdemSolverRhoPimpleChem.C +++ b/applications/solvers/cfdemSolverRhoPimpleChem/cfdemSolverRhoPimpleChem.C @@ -61,7 +61,7 @@ int main(int argc, char *argv[]) #include "createRDeltaT.H" #include "createFields.H" - #include "createFieldRefs.H" + //#include "createFieldRefs.H" #include "createFvOptions.H" #include "initContinuityErrs.H" diff --git a/applications/solvers/cfdemSolverRhoPimpleChem/createFields.H b/applications/solvers/cfdemSolverRhoPimpleChem/createFields.H index 80f4166e..5a3a8e0e 100644 --- a/applications/solvers/cfdemSolverRhoPimpleChem/createFields.H +++ b/applications/solvers/cfdemSolverRhoPimpleChem/createFields.H @@ -8,13 +8,13 @@ ); rhoReactionThermo& thermo = combustion->thermo(); - thermo.validate(args.executable(), "h", "e"); basicSpecieMixture& composition = thermo.composition(); PtrList& Y = composition.Y(); // read molecular weight + //const volScalarField& W = composition.W(); volScalarField W(composition.W()); bool propagateInertSpecie = true; @@ -34,6 +34,8 @@ } volScalarField& p = thermo.p(); + const volScalarField& T = thermo.T(); + const volScalarField& psi = thermo.psi(); multivariateSurfaceInterpolationScheme::fieldTable fields; @@ -57,9 +59,6 @@ ); // kinematic fields - - - Info<< "Reading field U\n" << endl; volVectorField U ( @@ -88,18 +87,8 @@ mesh ); - volScalarField rhoeps - ( - IOobject - ( - "rhoeps", - runTime.timeName(), - mesh, - IOobject::MUST_READ, - IOobject::AUTO_WRITE - ), - rho*voidfraction - ); + volScalarField rhoeps ("rhoeps", rho*voidfraction); + Info<< "\nCreating fluid-particle heat flux field\n" << endl; volScalarField Qsource @@ -283,8 +272,3 @@ dimensionedScalar("zero",dimensionSet(0, -3, 0, 0, 1),0) ); //=============================== - - - - // singlePhaseTransportModel laminarTransport(U, phi); - From 52709a1537a8cb3247572ef8a93f514100bf4e4d Mon Sep 17 00:00:00 2001 From: ekinaci Date: Thu, 8 Nov 2018 16:08:36 +0100 Subject: [PATCH 16/92] Give out information about Temperature --- .../energyModel/heatTransferGunn/heatTransferGunn.C | 10 ++++++++++ 1 file changed, 10 insertions(+) diff --git a/src/lagrangian/cfdemParticle/subModels/energyModel/heatTransferGunn/heatTransferGunn.C b/src/lagrangian/cfdemParticle/subModels/energyModel/heatTransferGunn/heatTransferGunn.C index 8905b001..6a4012a3 100644 --- a/src/lagrangian/cfdemParticle/subModels/energyModel/heatTransferGunn/heatTransferGunn.C +++ b/src/lagrangian/cfdemParticle/subModels/energyModel/heatTransferGunn/heatTransferGunn.C @@ -411,6 +411,13 @@ void heatTransferGunn::calcEnergyContribution() } QPartFluid_.correctBoundaryConditions(); + + volScalarField minParticleWeights = particleCloud_.averagingM().UsWeightField(); + Info << "Minimum Particle Weight " << gMin(minParticleWeights) << endl; + Info << "Minimum Particle Temperature: " << gMin(partTempField_) << endl; + Info << "Maximum Particle Temperature: " << gMax(partTempField_) << endl; + Info << "Minimum Fluid Temperature: " << gMin(tempField_) << endl; + Info << "Maximum Fluid Temperature: " << gMax(tempField_) << endl; } void heatTransferGunn::addEnergyContribution(volScalarField& Qsource) const @@ -437,6 +444,9 @@ scalar heatTransferGunn::Nusselt(scalar voidfraction, scalar Rep, scalar Pr) con void heatTransferGunn::heatFlux(label index, scalar h, scalar As, scalar Tfluid) { scalar hAs = h * As; + //Info << "partTemp from HTGunn.C = " << partTemp_[100][0] << endl; + //Info << "partTemp = " << partTemp_[index][0] << endl; + //Info << "Tfluid = " << Tfluid << endl; partHeatFlux_[index][0] = - hAs * partTemp_[index][0]; if(!implicit_) { From eab214a0c4d51b7777c2a5c28a15cbf9040b3534 Mon Sep 17 00:00:00 2001 From: ekinaci Date: Thu, 8 Nov 2018 16:09:04 +0100 Subject: [PATCH 17/92] No mass source changes for testing purposes --- applications/solvers/cfdemSolverRhoPimpleChem/YEqn.H | 7 ++++--- 1 file changed, 4 insertions(+), 3 deletions(-) diff --git a/applications/solvers/cfdemSolverRhoPimpleChem/YEqn.H b/applications/solvers/cfdemSolverRhoPimpleChem/YEqn.H index 3c82ddc8..07c24fe0 100644 --- a/applications/solvers/cfdemSolverRhoPimpleChem/YEqn.H +++ b/applications/solvers/cfdemSolverRhoPimpleChem/YEqn.H @@ -30,9 +30,10 @@ tmp > mvConvection + mvConvection->fvmDiv(phi, Yi) - fvm::laplacian(voidfraction*turbulence->muEff(), Yi) == - combustion->R(Yi) - + particleCloud.chemistryM(0).Smi(i) - + fvOptions(rho, Yi) + //combustion->R(Yi) + //+ particleCloud.chemistryM(0).Smi(i) + //+ fvOptions(rho, Yi) + fvOptions(rho, Yi) ); YiEqn.relax(); From 66e0fc59e880a19af0360c288d4e9f2779d80e8e Mon Sep 17 00:00:00 2001 From: ekinaci Date: Tue, 27 Nov 2018 10:09:07 +0100 Subject: [PATCH 18/92] add scale factor for coarse graining --- .../heatTransferGunn/heatTransferGunn.C | 54 +++++++++++++------ .../heatTransferGunn/heatTransferGunn.H | 2 + 2 files changed, 39 insertions(+), 17 deletions(-) diff --git a/src/lagrangian/cfdemParticle/subModels/energyModel/heatTransferGunn/heatTransferGunn.C b/src/lagrangian/cfdemParticle/subModels/energyModel/heatTransferGunn/heatTransferGunn.C index 6a4012a3..79d6d913 100644 --- a/src/lagrangian/cfdemParticle/subModels/energyModel/heatTransferGunn/heatTransferGunn.C +++ b/src/lagrangian/cfdemParticle/subModels/energyModel/heatTransferGunn/heatTransferGunn.C @@ -141,7 +141,8 @@ heatTransferGunn::heatTransferGunn partHeatFlux_(NULL), partHeatFluxCoeff_(NULL), partRe_(NULL), - partNu_(NULL) + partNu_(NULL), + scaleDia_(1.) { allocateMyArrays(); @@ -181,6 +182,8 @@ heatTransferGunn::heatTransferGunn FatalError <<"Cannot read and create NuField at the same time!\n" << abort(FatalError); } } + + particleCloud_.checkCG(true); } @@ -230,6 +233,12 @@ void heatTransferGunn::calcEnergyContribution() // get DEM data particleCloud_.dataExchangeM().getData(partTempName_,"scalar-atom",partTemp_); + if(particleCloud_.cg() > 1.) + { + scaleDia_ = particleCloud_.cg(); + Info << "Heat Transfer Gunn is using scale from liggghts cg = " << scaleDia_ << endl; + } + if(calcPartTempField_) { partTempField_.primitiveFieldRef() = 0.0; @@ -269,7 +278,7 @@ void heatTransferGunn::calcEnergyContribution() scalar Pr(0); scalar Nup(0); scalar Tsum(0.0); - + scalar ds_scaled(0.); interpolationCellPoint voidfractionInterpolator_(voidfraction_); interpolationCellPoint UInterpolator_(U_); @@ -301,15 +310,19 @@ void heatTransferGunn::calcEnergyContribution() Us = particleCloud_.velocity(index); magUr = mag(Ufluid - Us); ds = 2.*particleCloud_.radius(index); + ds_scaled = ds/scaleDia_; muf = mufField[cellI]; - Rep = ds * magUr * voidfraction * rho_[cellI]/ muf; + //Rep = ds * magUr * voidfraction * rho_[cellI]/ muf; + Rep = ds_scaled*magUr*voidfraction*rho_[cellI]/ muf; Pr = max(SMALL, Cp_ * muf / kf0_); Nup = Nusselt(voidfraction, Rep, Pr); Tsum += partTemp_[index][0]; - scalar h = kf0_ * Nup / ds; - scalar As = ds * ds * M_PI; // surface area of sphere + //scalar h = kf0_ * Nup / ds; + scalar h = kf0_ * Nup / ds_scaled; + //scalar As = ds * ds * M_PI; // surface area of sphere + scalar As = ds_scaled * ds_scaled * M_PI; // surface area of sphere // calc convective heat flux [W] heatFlux(index, h, As, Tfluid); @@ -320,18 +333,25 @@ void heatTransferGunn::calcEnergyContribution() partNu_[index][0] = Nup; } - if(particleCloud_.verbose() && index >=0 && index <2) - { - Info << "partHeatFlux = " << partHeatFlux_[index][0] << endl; - Info << "magUr = " << magUr << endl; - Info << "As = " << As << endl; - Info << "muf = " << muf << endl; - Info << "Rep = " << Rep << endl; - Info << "Pr = " << Pr << endl; - Info << "Nup = " << Nup << endl; - Info << "voidfraction = " << voidfraction << endl; - Info << "partTemp_[index][0] = " << partTemp_[index][0] << endl; - Info << "Tfluid = " << Tfluid << endl ; + //if(particleCloud_.verbose() && index >=0 && index <2) + if(verbose_ && index >=0 && index <2) + { + Pout << "partHeatFlux = " << partHeatFlux_[index][0] << endl; + Pout << "magUr = " << magUr << endl; + Pout << "kf0 = " << kf0_ << endl; + Pout << "Cp = " << Cp_ << endl; + Pout << "rho = " << rho_[cellI] << endl; + Pout << "h = " << h << endl; + Pout << "ds = " << ds << endl; + Pout << "ds_scaled = " << ds_scaled << endl; + Pout << "As = " << As << endl; + Pout << "muf = " << muf << endl; + Pout << "Rep = " << Rep << endl; + Pout << "Pr = " << Pr << endl; + Pout << "Nup = " << Nup << endl; + Pout << "voidfraction = " << voidfraction << endl; + Pout << "partTemp_[index][0] = " << partTemp_[index][0] << endl; + Pout << "Tfluid = " << Tfluid << endl ; } } } diff --git a/src/lagrangian/cfdemParticle/subModels/energyModel/heatTransferGunn/heatTransferGunn.H b/src/lagrangian/cfdemParticle/subModels/energyModel/heatTransferGunn/heatTransferGunn.H index aa6facf7..c3fd7a86 100644 --- a/src/lagrangian/cfdemParticle/subModels/energyModel/heatTransferGunn/heatTransferGunn.H +++ b/src/lagrangian/cfdemParticle/subModels/energyModel/heatTransferGunn/heatTransferGunn.H @@ -109,6 +109,8 @@ protected: mutable double **partNu_; + mutable scalar scaleDia_; + void allocateMyArrays() const; void partTempField(); From a285c980828beb2c5141fdc0f9431942175ee7df Mon Sep 17 00:00:00 2001 From: ekinaci Date: Mon, 7 Jan 2019 15:14:29 +0100 Subject: [PATCH 19/92] Info outpute order change --- applications/solvers/cfdemSolverRhoPimpleChem/EEqn.H | 5 +++-- 1 file changed, 3 insertions(+), 2 deletions(-) diff --git a/applications/solvers/cfdemSolverRhoPimpleChem/EEqn.H b/applications/solvers/cfdemSolverRhoPimpleChem/EEqn.H index 7a63e332..567f58d2 100644 --- a/applications/solvers/cfdemSolverRhoPimpleChem/EEqn.H +++ b/applications/solvers/cfdemSolverRhoPimpleChem/EEqn.H @@ -9,6 +9,7 @@ particleCloud.energyCoefficients(QCoeff); thCond=particleCloud.thermCondM().thermCond(); Cpv = he.name() == "e" ? thermo.Cv() : thermo.Cp(); + fvScalarMatrix EEqn ( fvm::ddt(rhoeps, he) + fvm::div(phi, he) @@ -44,12 +45,12 @@ fvScalarMatrix EEqn fvOptions.correct(he); thermo.correct(); - + Info << "Qsource :" << max(Qsource).value() << " " << min(Qsource).value() << endl; Info << "QCoeff :" << max(QCoeff).value() << " " << min(QCoeff).value() << endl; Info << "Cpv :" << max(Cpv).value() << " " << min(Cpv).value() << endl; Info<< "T max/min : " << max(T).value() << " " << min(T).value() << endl; - Info << "he min/max : " << max(he).value() << " " << min(he).value() << endl; + Info << "he max/min : " << max(he).value() << " " << min(he).value() << endl; particleCloud.clockM().start(31,"energySolve"); particleCloud.solve(); From 04445e079782bf4e38b0049246083e09e492e1e0 Mon Sep 17 00:00:00 2001 From: ekinaci Date: Mon, 7 Jan 2019 15:14:55 +0100 Subject: [PATCH 20/92] Uncomment mass sources --- applications/solvers/cfdemSolverRhoPimpleChem/YEqn.H | 8 ++++---- 1 file changed, 4 insertions(+), 4 deletions(-) diff --git a/applications/solvers/cfdemSolverRhoPimpleChem/YEqn.H b/applications/solvers/cfdemSolverRhoPimpleChem/YEqn.H index 07c24fe0..458f343e 100644 --- a/applications/solvers/cfdemSolverRhoPimpleChem/YEqn.H +++ b/applications/solvers/cfdemSolverRhoPimpleChem/YEqn.H @@ -30,10 +30,10 @@ tmp > mvConvection + mvConvection->fvmDiv(phi, Yi) - fvm::laplacian(voidfraction*turbulence->muEff(), Yi) == - //combustion->R(Yi) - //+ particleCloud.chemistryM(0).Smi(i) - //+ fvOptions(rho, Yi) - fvOptions(rho, Yi) + combustion->R(Yi) + + particleCloud.chemistryM(0).Smi(i) + + fvOptions(rho, Yi) + ); YiEqn.relax(); From 2f0a2854a4d889e7cf96207f4a1a1c5a18d9625b Mon Sep 17 00:00:00 2001 From: ekinaci Date: Mon, 7 Jan 2019 15:15:41 +0100 Subject: [PATCH 21/92] Debug information output --- .../subModels/chemistryModel/species/species.C | 6 ++++-- 1 file changed, 4 insertions(+), 2 deletions(-) diff --git a/src/lagrangian/cfdemParticle/subModels/chemistryModel/species/species.C b/src/lagrangian/cfdemParticle/subModels/chemistryModel/species/species.C index fda81d17..23f32464 100644 --- a/src/lagrangian/cfdemParticle/subModels/chemistryModel/species/species.C +++ b/src/lagrangian/cfdemParticle/subModels/chemistryModel/species/species.C @@ -264,8 +264,8 @@ void species::execute() } } - partTemp_[index][0] = Tfluid; - partRho_[index][0] = rhofluid; + partTemp_[index][0] = Tfluid; + partRho_[index][0] = rhofluid; partMolarConc_[index][0] = molarConcfluid; for (int i=0; i Date: Mon, 7 Jan 2019 17:13:45 +0100 Subject: [PATCH 22/92] add volScalarField dSauter --- .../solvers/cfdemSolverRhoPimpleChem/createFields.H | 13 +++++++++++++ 1 file changed, 13 insertions(+) diff --git a/applications/solvers/cfdemSolverRhoPimpleChem/createFields.H b/applications/solvers/cfdemSolverRhoPimpleChem/createFields.H index 5a3a8e0e..d8088eaf 100644 --- a/applications/solvers/cfdemSolverRhoPimpleChem/createFields.H +++ b/applications/solvers/cfdemSolverRhoPimpleChem/createFields.H @@ -271,4 +271,17 @@ mesh, dimensionedScalar("zero",dimensionSet(0, -3, 0, 0, 1),0) ); + + volScalarField dSauter + ( + IOobject + ( + "dSauter", + runTime.timeName(), + mesh, + IOobject::MUST_READ, + IOobject::AUTO_WRITE + ), + mesh + ); //=============================== From 94d7ef5b78be00ef5aea1cbef363efe3cfdf9dda Mon Sep 17 00:00:00 2001 From: ekinaci Date: Thu, 10 Jan 2019 15:35:51 +0100 Subject: [PATCH 23/92] add verbose switch to check reactionHeat per particle --- .../subModels/energyModel/reactionHeat/reactionHeat.C | 9 +++++++++ .../subModels/energyModel/reactionHeat/reactionHeat.H | 2 ++ 2 files changed, 11 insertions(+) diff --git a/src/lagrangian/cfdemParticle/subModels/energyModel/reactionHeat/reactionHeat.C b/src/lagrangian/cfdemParticle/subModels/energyModel/reactionHeat/reactionHeat.C index 5ca1c6c6..b91d628d 100644 --- a/src/lagrangian/cfdemParticle/subModels/energyModel/reactionHeat/reactionHeat.C +++ b/src/lagrangian/cfdemParticle/subModels/energyModel/reactionHeat/reactionHeat.C @@ -45,6 +45,7 @@ reactionHeat::reactionHeat energyModel(dict,sm), propsDict_(dict.subDict(typeName + "Props")), interpolation_(propsDict_.lookupOrDefault("interpolation",false)), + verbose_(propsDict_.lookupOrDefault("verbose",false)), mesh_(sm.mesh()), maxSource_(1e30), reactionHeatName_(propsDict_.lookupOrDefault("reactionHeatName","reactionHeat")), @@ -97,6 +98,14 @@ void reactionHeat::calcEnergyContribution() particleCloud_.dataExchangeM().getData(reactionHeatName_,"scalar-atom",reactionHeat_); + for(int index = 0;index < particleCloud_.numberOfParticles(); ++index) + { + if (verbose_ && index>=0 && index < 2) + { + Pout << "reactionHeat = " << reactionHeat_[index][0] << endl; + } + } + reactionHeatField_.primitiveFieldRef() = 0.0; reactionHeatField_.boundaryFieldRef() = 0.0; diff --git a/src/lagrangian/cfdemParticle/subModels/energyModel/reactionHeat/reactionHeat.H b/src/lagrangian/cfdemParticle/subModels/energyModel/reactionHeat/reactionHeat.H index 0fa6c805..73054f9a 100644 --- a/src/lagrangian/cfdemParticle/subModels/energyModel/reactionHeat/reactionHeat.H +++ b/src/lagrangian/cfdemParticle/subModels/energyModel/reactionHeat/reactionHeat.H @@ -47,6 +47,8 @@ protected: bool interpolation_; + bool verbose_; + const fvMesh& mesh_; scalar maxSource_; From e52b1028a227229ee12d73d1cc37bfa275afe90e Mon Sep 17 00:00:00 2001 From: ekinaci Date: Thu, 21 Feb 2019 15:29:32 +0100 Subject: [PATCH 24/92] add dSauter field read --- applications/solvers/cfdemSolverRhoPimpleChem/EEqn.H | 4 ++-- applications/solvers/cfdemSolverRhoPimpleChem/createFields.H | 5 +++-- 2 files changed, 5 insertions(+), 4 deletions(-) diff --git a/applications/solvers/cfdemSolverRhoPimpleChem/EEqn.H b/applications/solvers/cfdemSolverRhoPimpleChem/EEqn.H index eaed1199..719af09a 100644 --- a/applications/solvers/cfdemSolverRhoPimpleChem/EEqn.H +++ b/applications/solvers/cfdemSolverRhoPimpleChem/EEqn.H @@ -10,8 +10,8 @@ thCond=particleCloud.thermCondM().thermCond(); Cpv = he.name() == "e" ? thermo.Cv() : thermo.Cp(); // correct source for the thermodynamic reference temperature -dimensionedScalar Tref("Tref", dimTemperature, T[0]-he[0]/(Cpv[0]+SMALL)); -Qsource += QCoeff*Tref; +// dimensionedScalar Tref("Tref", dimTemperature, T[0]-he[0]/(Cpv[0]+SMALL)); +// Qsource += QCoeff*Tref; fvScalarMatrix EEqn ( diff --git a/applications/solvers/cfdemSolverRhoPimpleChem/createFields.H b/applications/solvers/cfdemSolverRhoPimpleChem/createFields.H index d8088eaf..2dbfcaa1 100644 --- a/applications/solvers/cfdemSolverRhoPimpleChem/createFields.H +++ b/applications/solvers/cfdemSolverRhoPimpleChem/createFields.H @@ -279,9 +279,10 @@ "dSauter", runTime.timeName(), mesh, - IOobject::MUST_READ, + IOobject::READ_IF_PRESENT, IOobject::AUTO_WRITE ), - mesh + mesh, + dimensionedScalar("zero",dimensionSet(0, 1, 0, 0, 0,0,0),0) ); //=============================== From bb2aa55fdfe572b87a7d578cbb68845d2ae8a981 Mon Sep 17 00:00:00 2001 From: danielque Date: Thu, 8 Aug 2019 11:05:50 +0200 Subject: [PATCH 25/92] add .sh file extension to Allclean script --- .../30CO6H2_Hematite/{Allclean => Allclean.sh} | 0 1 file changed, 0 insertions(+), 0 deletions(-) rename tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/{Allclean => Allclean.sh} (100%) diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/Allclean b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/Allclean.sh similarity index 100% rename from tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/Allclean rename to tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/Allclean.sh From a35e0dac09f67a71824f8ce1204629a32512fb77 Mon Sep 17 00:00:00 2001 From: danielque Date: Thu, 8 Aug 2019 11:06:24 +0200 Subject: [PATCH 26/92] correct solver name in run.config --- .../SingleParticleCases/30CO6H2_Hematite/run.config | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/run.config b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/run.config index 9091b486..cb21decd 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/run.config +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/run.config @@ -9,7 +9,7 @@ { "name" : "cfdemrun", "depends_on" : "liggghts-init", - "solver" : "cfdemSolverPiso", + "solver" : "cfdemSolverRhoPimpleChem", "type" : "CFDEMcoupling/mpi", "nprocs" : 2, "pre_scripts" : ["prerun.sh"], From b777ae6e9b15f401588da8e0308e4464e1a4d37c Mon Sep 17 00:00:00 2001 From: danielque Date: Thu, 8 Aug 2019 12:34:16 +0200 Subject: [PATCH 27/92] clean up whitespaces and comments [ci skip] --- applications/solvers/cfdemSolverRhoPimpleChem/YEqn.H | 1 - .../cfdemSolverRhoPimpleChem/cfdemSolverRhoPimpleChem.C | 2 -- .../solvers/cfdemSolverRhoPimpleChem/createFields.H | 1 - .../reactantPerParticle/reactantPerParticle.C | 2 +- .../subModels/chemistryModel/species/species.C | 2 -- .../energyModel/heatTransferGunn/heatTransferGunn.C | 8 ++------ 6 files changed, 3 insertions(+), 13 deletions(-) diff --git a/applications/solvers/cfdemSolverRhoPimpleChem/YEqn.H b/applications/solvers/cfdemSolverRhoPimpleChem/YEqn.H index 458f343e..3c82ddc8 100644 --- a/applications/solvers/cfdemSolverRhoPimpleChem/YEqn.H +++ b/applications/solvers/cfdemSolverRhoPimpleChem/YEqn.H @@ -33,7 +33,6 @@ tmp > mvConvection combustion->R(Yi) + particleCloud.chemistryM(0).Smi(i) + fvOptions(rho, Yi) - ); YiEqn.relax(); diff --git a/applications/solvers/cfdemSolverRhoPimpleChem/cfdemSolverRhoPimpleChem.C b/applications/solvers/cfdemSolverRhoPimpleChem/cfdemSolverRhoPimpleChem.C index 33f9901b..a634ef7a 100644 --- a/applications/solvers/cfdemSolverRhoPimpleChem/cfdemSolverRhoPimpleChem.C +++ b/applications/solvers/cfdemSolverRhoPimpleChem/cfdemSolverRhoPimpleChem.C @@ -52,7 +52,6 @@ Description int main(int argc, char *argv[]) { -// #include "postProcess.H" #include "setRootCase.H" #include "createTime.H" #include "createMesh.H" @@ -61,7 +60,6 @@ int main(int argc, char *argv[]) #include "createRDeltaT.H" #include "createFields.H" - //#include "createFieldRefs.H" #include "createFvOptions.H" #include "initContinuityErrs.H" diff --git a/applications/solvers/cfdemSolverRhoPimpleChem/createFields.H b/applications/solvers/cfdemSolverRhoPimpleChem/createFields.H index 2dbfcaa1..3e10274b 100644 --- a/applications/solvers/cfdemSolverRhoPimpleChem/createFields.H +++ b/applications/solvers/cfdemSolverRhoPimpleChem/createFields.H @@ -14,7 +14,6 @@ PtrList& Y = composition.Y(); // read molecular weight - //const volScalarField& W = composition.W(); volScalarField W(composition.W()); bool propagateInertSpecie = true; diff --git a/src/lagrangian/cfdemParticle/subModels/chemistryModel/reactantPerParticle/reactantPerParticle.C b/src/lagrangian/cfdemParticle/subModels/chemistryModel/reactantPerParticle/reactantPerParticle.C index 097d6eb1..0d2151c7 100644 --- a/src/lagrangian/cfdemParticle/subModels/chemistryModel/reactantPerParticle/reactantPerParticle.C +++ b/src/lagrangian/cfdemParticle/subModels/chemistryModel/reactantPerParticle/reactantPerParticle.C @@ -56,7 +56,7 @@ reactantPerParticle::reactantPerParticle chemistryModel(dict,sm), propsDict_(dict.subDict(typeName + "Props")), mesh_(sm.mesh()), - verbose_(propsDict_.lookupOrDefault("verbose",false)), + verbose_(propsDict_.lookupOrDefault("verbose",false)), reactantPerParticle_(NULL), voidfractionFieldName_(propsDict_.lookupOrDefault("voidfractionFieldName","voidfraction")), voidfraction_(sm.mesh().lookupObject(voidfractionFieldName_)), diff --git a/src/lagrangian/cfdemParticle/subModels/chemistryModel/species/species.C b/src/lagrangian/cfdemParticle/subModels/chemistryModel/species/species.C index 23f32464..570a9127 100644 --- a/src/lagrangian/cfdemParticle/subModels/chemistryModel/species/species.C +++ b/src/lagrangian/cfdemParticle/subModels/chemistryModel/species/species.C @@ -290,8 +290,6 @@ void species::execute() } } - //Info << "partTemp from species.C = " << partTemp_[100][0] << endl; - // give DEM data particleCloud_.dataExchangeM().giveData(partTempName_, "scalar-atom", partTemp_); particleCloud_.dataExchangeM().giveData(partRhoName_, "scalar-atom", partRho_); diff --git a/src/lagrangian/cfdemParticle/subModels/energyModel/heatTransferGunn/heatTransferGunn.C b/src/lagrangian/cfdemParticle/subModels/energyModel/heatTransferGunn/heatTransferGunn.C index 655626bb..3ec830cc 100644 --- a/src/lagrangian/cfdemParticle/subModels/energyModel/heatTransferGunn/heatTransferGunn.C +++ b/src/lagrangian/cfdemParticle/subModels/energyModel/heatTransferGunn/heatTransferGunn.C @@ -359,9 +359,8 @@ void heatTransferGunn::calcEnergyContribution() partNu_[index][0] = Nup; } - //if(particleCloud_.verbose() && index >=0 && index <2) - if(verbose_ && index >=0 && index <2) - { + if(verbose_ && index >=0 && index <2) + { Pout << "partHeatFlux = " << partHeatFlux_[index][0] << endl; Pout << "magUr = " << magUr << endl; Pout << "kf0 = " << kf0_ << endl; @@ -489,9 +488,6 @@ scalar heatTransferGunn::Nusselt(scalar voidfraction, scalar Rep, scalar Pr) con void heatTransferGunn::heatFlux(label index, scalar h, scalar As, scalar Tfluid, scalar cg3) { - //Info << "partTemp from HTGunn.C = " << partTemp_[100][0] << endl; - //Info << "partTemp = " << partTemp_[index][0] << endl; - //Info << "Tfluid = " << Tfluid << endl; scalar hAs = h * As * cg3; if (particleCloud_.getParticleEffVolFactors()) From cde5d933e7119b9f84bc3e2ab9ac74e112a0df4d Mon Sep 17 00:00:00 2001 From: danielque Date: Thu, 8 Aug 2019 13:10:13 +0200 Subject: [PATCH 28/92] clean up some tutorial files [ci skip] --- .../30CO6H2_Hematite/Allrun.sh | 5 ++--- .../SingleParticleCases/30CO6H2_Hematite/CFD/0/U | 16 +++++----------- .../30CO6H2_Hematite/parCFDDEMrun.sh | 5 ++--- .../30CO6H2_Hematite/parDEMrun.sh | 5 ++--- .../Spreitzer_R2/{Allclean => Allclean.sh} | 0 .../Spreitzer_R2/Allrun.sh | 5 ++--- .../Spreitzer_R2/parCFDDEMrun.sh | 5 ++--- .../Spreitzer_R2/parDEMrun.sh | 5 ++--- 8 files changed, 17 insertions(+), 29 deletions(-) rename tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/{Allclean => Allclean.sh} (100%) diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/Allrun.sh b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/Allrun.sh index 5c5cfbbc..0f5569b2 100755 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/Allrun.sh +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/Allrun.sh @@ -1,9 +1,8 @@ #!/bin/bash #===================================================================# -# allrun script for testcase as part of test routine -# run settlingTest -# Christoph Goniva - Sept. 2010 +# allrun script for testcase +# M. Efe Kinaci - Sep 2018 #===================================================================# #- source CFDEM env vars diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/U b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/U index 2f6b479f..3b04b2f8 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/U +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/U @@ -17,32 +17,26 @@ FoamFile dimensions [0 1 -1 0 0 0 0]; -internalField uniform (0.011 0 0);//(0.011 0 0); +internalField uniform (0.011 0 0); boundaryField { top { - type slip; -/* type fixedValue; - value uniform (0.0 0 0);*/ + type slip; } bottom { - type slip; -/* type fixedValue; - value uniform (0.0 0 0);*/ + type slip; } side-walls { - type slip; -/* type fixedValue; - value uniform (0.0 0 0); */ + type slip; } inlet { type fixedValue; - value uniform (0.011 0 0);//(0.011 0 0); + value uniform (0.011 0 0); } outlet diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/parCFDDEMrun.sh b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/parCFDDEMrun.sh index 5f3c7996..5e4a6a19 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/parCFDDEMrun.sh +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/parCFDDEMrun.sh @@ -1,9 +1,8 @@ #!/bin/bash #===================================================================# -# allrun script for testcase as part of test routine -# run settlingTest CFD part -# Christoph Goniva - Feb. 2011 +# allrun script for single particle testcase +# M. Efe Kinaci - Sep 2018 #===================================================================# #- source CFDEM env vars diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/parDEMrun.sh b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/parDEMrun.sh index 3b9653f8..c580f12e 100755 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/parDEMrun.sh +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/parDEMrun.sh @@ -1,9 +1,8 @@ #!/bin/bash #===================================================================# -# DEMrun script for ErgunTestMPI testcase -# init ErgunTestMPI -# Christoph Goniva - July 2014 +# DEMrun script for testcase +# M. Efe Kinaci - Sep 2018 #===================================================================# #- source CFDEM env vars diff --git a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/Allclean b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/Allclean.sh similarity index 100% rename from tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/Allclean rename to tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/Allclean.sh diff --git a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/Allrun.sh b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/Allrun.sh index 5c5cfbbc..0f5569b2 100755 --- a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/Allrun.sh +++ b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/Allrun.sh @@ -1,9 +1,8 @@ #!/bin/bash #===================================================================# -# allrun script for testcase as part of test routine -# run settlingTest -# Christoph Goniva - Sept. 2010 +# allrun script for testcase +# M. Efe Kinaci - Sep 2018 #===================================================================# #- source CFDEM env vars diff --git a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/parCFDDEMrun.sh b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/parCFDDEMrun.sh index a08fa357..6e7c877f 100755 --- a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/parCFDDEMrun.sh +++ b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/parCFDDEMrun.sh @@ -1,9 +1,8 @@ #!/bin/bash #===================================================================# -# allrun script for testcase as part of test routine -# run settlingTest CFD part -# Christoph Goniva - Feb. 2011 +# allrun script for testcase +# M. Efe Kinaci - Sep 2018 #===================================================================# #- source CFDEM env vars diff --git a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/parDEMrun.sh b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/parDEMrun.sh index 2841da36..98943a13 100755 --- a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/parDEMrun.sh +++ b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/parDEMrun.sh @@ -1,9 +1,8 @@ #!/bin/bash #===================================================================# -# DEMrun script for ErgunTestMPI testcase -# init ErgunTestMPI -# Christoph Goniva - July 2014 +# DEMrun script for testcase +# M. Efe Kinaci - Sep 2018 #===================================================================# #- source CFDEM env vars From e765bc4eb20c1b7c72bc9081f3a78ea2f5099e9d Mon Sep 17 00:00:00 2001 From: danielque Date: Thu, 8 Aug 2019 13:19:21 +0200 Subject: [PATCH 29/92] remove periodicity info from dumps boundaries are fixed, thus periodicity does not give any useful information --- .../SingleParticleCases/30CO6H2_Hematite/DEM/in.liggghts_init | 2 +- .../SingleParticleCases/30CO6H2_Hematite/DEM/in.liggghts_run | 2 +- .../Spreitzer_FluidBedCases/Spreitzer_R2/DEM/in.liggghts_init | 2 +- .../Spreitzer_FluidBedCases/Spreitzer_R2/DEM/in.liggghts_run | 2 +- 4 files changed, 4 insertions(+), 4 deletions(-) diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/DEM/in.liggghts_init b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/DEM/in.liggghts_init index e09a168f..7c684b8c 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/DEM/in.liggghts_init +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/DEM/in.liggghts_init @@ -52,7 +52,7 @@ compute_modify thermo_temp dynamic yes # insert the first particles so that dump is not empty run 1 -dump dmp all custom 100 post/dump.liggghts_init id type x y z ix iy iz vx vy vz fx fy fz omegax omegay omegaz radius +dump dmp all custom 100 post/dump.liggghts_init id type x y z vx vy vz fx fy fz omegax omegay omegaz radius run 10000 upto write_restart ../DEM/post/restart/liggghts.restart diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/DEM/in.liggghts_run b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/DEM/in.liggghts_run index a0f3a400..09a3f32d 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/DEM/in.liggghts_run +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/DEM/in.liggghts_run @@ -172,6 +172,6 @@ thermo 1000 thermo_modify lost ignore norm no compute_modify thermo_temp dynamic yes -dump dmp all custom 10000 ../DEM/post/dump.liggghts_run id type x y z ix iy iz vx vy vz fx fy fz omegax omegay omegaz radius +dump dmp all custom 10000 ../DEM/post/dump.liggghts_run id type x y z vx vy vz fx fy fz omegax omegay omegaz radius run 1 diff --git a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/DEM/in.liggghts_init b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/DEM/in.liggghts_init index a0b6ecba..4182355e 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/DEM/in.liggghts_init +++ b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/DEM/in.liggghts_init @@ -59,7 +59,7 @@ compute_modify thermo_temp dynamic yes # insert the first particles so that dump is not empty run 1 -dump dmp all custom 1000 post/dump.liggghts_init id type x y z ix iy iz vx vy vz fx fy fz omegax omegay omegaz radius +dump dmp all custom 1000 post/dump.liggghts_init id type x y z vx vy vz fx fy fz omegax omegay omegaz radius run 150000 upto write_restart ../DEM/post/restart/liggghts.restart diff --git a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/DEM/in.liggghts_run b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/DEM/in.liggghts_run index a3d7ad90..d47bbb8b 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/DEM/in.liggghts_run +++ b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/DEM/in.liggghts_run @@ -296,7 +296,7 @@ thermo 1000 thermo_modify lost ignore norm no compute_modify thermo_temp dynamic yes -dump dmp all custom ${WI} ../DEM/post/dump.liggghts_run id type x y z ix iy iz vx vy vz fx fy fz omegax omegay omegaz radius +dump dmp all custom ${WI} ../DEM/post/dump.liggghts_run id type x y z vx vy vz fx fy fz omegax omegay omegaz radius dump tstdmp2 all custom 250000 ../DEM/dumptest.liggghts_run id type x y z vx vy vz f_Aterm_cfd5[1] f_Aterm_cfd5[2] f_Aterm_cfd5[3] f_Aterm_cfd6[1] f_Aterm_cfd6[2] f_Aterm_cfd6[3] f_Bterm_cfd5[1] f_Bterm_cfd5[2] f_Bterm_cfd5[3] f_Bterm_cfd6[1] f_Bterm_cfd6[2] f_Bterm_cfd6[3] f_Massterm_cfd5 f_Massterm_cfd6 f_X_CO f_X_H2 f_X_CO2 f_X_H2O f_fracRed[1] f_fracRed[2] f_fracRed[3] From 6f9af416bb90b9c35bbb0490afcf6fe07c53e663 Mon Sep 17 00:00:00 2001 From: danielque Date: Thu, 8 Aug 2019 13:26:21 +0200 Subject: [PATCH 30/92] replace misleading comments [ci skip] --- .../SingleParticleCases/30CO6H2_Hematite/DEM/in.liggghts_run | 2 +- .../Spreitzer_FluidBedCases/Spreitzer_R2/DEM/in.liggghts_run | 2 +- 2 files changed, 2 insertions(+), 2 deletions(-) diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/DEM/in.liggghts_run b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/DEM/in.liggghts_run index 09a3f32d..4de0661c 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/DEM/in.liggghts_run +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/DEM/in.liggghts_run @@ -1,4 +1,4 @@ -# Pour granular particles into chute container, then induce flow +# single particle chemistry test case log ../DEM/log.liggghts thermo_log ../DEM/post/thermo.txt diff --git a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/DEM/in.liggghts_run b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/DEM/in.liggghts_run index d47bbb8b..4249564a 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/DEM/in.liggghts_run +++ b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/DEM/in.liggghts_run @@ -1,4 +1,4 @@ -# Pour granular particles into chute container, then induce flow +# particle chemistry test case log ../DEM/log.liggghts thermo_log ../DEM/post/thermo.txt From f9a638e291b77df2d4ad7948740ed3fd53a3661c Mon Sep 17 00:00:00 2001 From: danielque Date: Thu, 8 Aug 2019 13:43:49 +0200 Subject: [PATCH 31/92] clean up some tutorial files [ci skip] --- .../30CO6H2_Hematite/CFD/system/controlDict | 24 ++++---- .../Spreitzer_R2/CFD/system/controlDict | 55 +++++++++---------- 2 files changed, 39 insertions(+), 40 deletions(-) diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/system/controlDict b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/system/controlDict index f70dd011..ed95c9f6 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/system/controlDict +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/system/controlDict @@ -29,7 +29,7 @@ deltaT 1; writeControl runTime; -writeInterval 1000; +writeInterval 1000; purgeWrite 0; @@ -53,7 +53,7 @@ maxDeltaT 0.1; // ************************************************************************* // - libs ( + libs ( "libfieldFunctionObjects.so" ); @@ -61,24 +61,24 @@ functions { moleFrac { - type rhoReactionThermoMoleFractions; + type rhoReactionThermoMoleFractions; } probes1 { - type probes; + type probes; functionObjectLibs ("libsampling.so"); - #include "probesDict"; + #include "probesDict"; } - + globalMassFrac - { + { type volRegion; libs ("libfieldFunctionObjects.so"); - writeControl timeStep;//outputTime; - writeInterval 1; + writeControl timeStep;//outputTime; + writeInterval 1; log true; writeFields false; regionType all; @@ -96,10 +96,10 @@ functions } globalMass - { + { type volRegion; libs ("libfieldFunctionObjects.so"); - writeControl timeStep;//outputTime; + writeControl timeStep;//outputTime; writeInterval 1; log true; writeFields false; @@ -112,6 +112,6 @@ functions rho ); } -} +} // ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/system/controlDict b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/system/controlDict index 4e57821c..d1e66f80 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/system/controlDict +++ b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/system/controlDict @@ -15,7 +15,7 @@ FoamFile } // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // -application cfdemSolverRhoPimpleChem; +application cfdemSolverRhoPimpleChem; startFrom startTime; @@ -25,11 +25,11 @@ stopAt endTime; endTime 70; -deltaT 0.0005; //0.00025; +deltaT 0.0005; -writeControl timeStep; +writeControl timeStep; -writeInterval 5000; +writeInterval 5000; purgeWrite 0; @@ -53,7 +53,7 @@ maxDeltaT 0.1; // ************************************************************************* // - libs ( + libs ( "libfieldFunctionObjects.so" ); @@ -61,9 +61,9 @@ functions { moleFrac { - type rhoReactionThermoMoleFractions; + type rhoReactionThermoMoleFractions; } - + residuals { type residuals; @@ -78,9 +78,9 @@ functions U ); } - + gasResidual - { + { type residuals; functionObjectLibs ("libutilityFunctionObjects.so"); enabled true; @@ -96,35 +96,34 @@ functions N2 ); } - + probes1 { - type probes; + type probes; functionObjectLibs ("libsampling.so"); - #include "probesDict"; + #include "probesDict"; } fieldMinMax1 { - type fieldMinMax; - libs ("libfieldFunctionObjects.so"); - fields (U); - // Report the location of the field extrema - location yes; - // Type of extrema for rank > 0 primitives - mode magnitude; // magnitude | component + type fieldMinMax; + libs ("libfieldFunctionObjects.so"); + fields (U); + // Report the location of the field extrema + location yes; + // Type of extrema for rank > 0 primitives + mode magnitude; // magnitude | component } - - + globalMassFrac - { + { type volRegion; libs ("libfieldFunctionObjects.so"); - writeControl timeStep;//outputTime; + writeControl timeStep;//outputTime; writeInterval 1; log true; writeFields false; @@ -140,13 +139,13 @@ functions CO N2 ); - } + } globalMass - { + { type volRegion; libs ("libfieldFunctionObjects.so"); - writeControl timeStep;//outputTime; + writeControl timeStep;//outputTime; writeInterval 1; log true; writeFields false; @@ -158,7 +157,7 @@ functions rhoeps rho ); - } -} + } +} // ************************************************************************* // From 26099f72b1019cd4b1ea2ca5efb216863bf22f95 Mon Sep 17 00:00:00 2001 From: danielque Date: Thu, 8 Aug 2019 13:45:08 +0200 Subject: [PATCH 32/92] correct solver name and # of processors in run.config [ci skip] --- .../Spreitzer_FluidBedCases/Spreitzer_R2/run.config | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/run.config b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/run.config index 9091b486..43407cd4 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/run.config +++ b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/run.config @@ -9,9 +9,9 @@ { "name" : "cfdemrun", "depends_on" : "liggghts-init", - "solver" : "cfdemSolverPiso", + "solver" : "cfdemSolverRhoPimpleChem", "type" : "CFDEMcoupling/mpi", - "nprocs" : 2, + "nprocs" : 8, "pre_scripts" : ["prerun.sh"], "post_scripts" : ["postrun.sh"] } From 7c48f9b20c0f543bb75a52fa96b047ab04a66ae8 Mon Sep 17 00:00:00 2001 From: danielque Date: Thu, 8 Aug 2019 14:13:24 +0200 Subject: [PATCH 33/92] add post and restart folders to chemistry tutorials --- .../30CO6H2_Hematite/DEM/post/restart/.gitignore | 0 .../Spreitzer_R2/DEM/post/restart/.gitignore | 0 2 files changed, 0 insertions(+), 0 deletions(-) create mode 100644 tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/DEM/post/restart/.gitignore create mode 100644 tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/DEM/post/restart/.gitignore diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/DEM/post/restart/.gitignore b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/DEM/post/restart/.gitignore new file mode 100644 index 00000000..e69de29b diff --git a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/DEM/post/restart/.gitignore b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/DEM/post/restart/.gitignore new file mode 100644 index 00000000..e69de29b From 299a24fe4f3fd32615403f07eccc3ac96426bc62 Mon Sep 17 00:00:00 2001 From: danielque Date: Thu, 8 Aug 2019 14:31:37 +0200 Subject: [PATCH 34/92] fix OpenFOAM init files at least my installed version of OpenFOAM (tag version-4.0) does not accept pure double values as type --- .../SingleParticleCases/30CO6H2_Hematite/CFD/0/CO | 5 +++-- .../SingleParticleCases/30CO6H2_Hematite/CFD/0/CO2 | 5 +++-- .../SingleParticleCases/30CO6H2_Hematite/CFD/0/H2 | 5 +++-- .../SingleParticleCases/30CO6H2_Hematite/CFD/0/H2O | 3 ++- .../SingleParticleCases/30CO6H2_Hematite/CFD/0/N2 | 3 ++- 5 files changed, 13 insertions(+), 8 deletions(-) diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/CO b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/CO index 0fb43b4e..2acf5c56 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/CO +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/CO @@ -17,7 +17,7 @@ FoamFile dimensions [0 0 0 0 0 0 0]; -internalField uniform 0.31018; // 30%; +internalField uniform 0.31018; // 30%; boundaryField { @@ -38,7 +38,8 @@ boundaryField inlet { - type 0.31018; + type fixedValue; + value uniform 0.31018; } outlet diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/CO2 b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/CO2 index 62164e25..ea731072 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/CO2 +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/CO2 @@ -17,7 +17,7 @@ FoamFile dimensions [0 0 0 0 0 0 0]; -internalField uniform 0.064981; // 4%; +internalField uniform 0.064981; // 4%; boundaryField { @@ -38,7 +38,8 @@ boundaryField inlet { - type 0.064981; + type fixedValue; + value uniform 0.064981; } outlet diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/H2 b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/H2 index f77da345..1bd5deb3 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/H2 +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/H2 @@ -17,7 +17,7 @@ FoamFile dimensions [0 0 0 0 0 0 0]; -internalField uniform 0.0044638; //6%; +internalField uniform 0.0044638; //6%; boundaryField { @@ -38,7 +38,8 @@ boundaryField inlet { - type 0.0044638; + type fixedValue; + value uniform 0.0044638; } outlet diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/H2O b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/H2O index 56db58c2..18663ebf 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/H2O +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/H2O @@ -38,7 +38,8 @@ boundaryField inlet { - type 0.00001; + type fixedValue; + value uniform 0.00001; } outlet diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/N2 b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/N2 index a814d650..7422315b 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/N2 +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/N2 @@ -38,7 +38,8 @@ boundaryField inlet { - type 0.62036; + type fixedValue; + value uniform 0.62036; } outlet From 204363744e3e5c0baac3264e119ca5339e3913d1 Mon Sep 17 00:00:00 2001 From: danielque Date: Thu, 8 Aug 2019 17:11:26 +0200 Subject: [PATCH 35/92] fix single particle chemistry tutorial [ci skip] --- .../SingleParticleCases/30CO6H2_Hematite/DEM/in.liggghts_run | 5 +++-- 1 file changed, 3 insertions(+), 2 deletions(-) diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/DEM/in.liggghts_run b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/DEM/in.liggghts_run index 4de0661c..146214c3 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/DEM/in.liggghts_run +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/DEM/in.liggghts_run @@ -48,7 +48,7 @@ fix cfd all couple/cfd couple_every 100 mpi fix cfd2 all couple/cfd/force # this should invoke chemistry -fix cfd3 all couple/cfd/chemistry n_species 5 species_names H2 H2O CO CO2 N2 +fix cfd3 all couple/cfd/chemistry n_species 5 species_names H2 H2O CO CO2 N2 n_diff 2 diffusant_names CO H2 # Activate for 3-layer unreacted core shrink model fix cfd5 all chem/shrink/core speciesA CO molMassA 0.02801 speciesC CO2 molMassC 0.04401 kch2 0.375161 screen no nevery 1 @@ -81,7 +81,8 @@ fix massLayer all property/atom massLayer vector no no no 0. 0. 0. 0. ## debug fixes ## # fix to compute fracRed -fix fracRed all property/atom fracRed vector yes no no 0. 0. 0. +fix fracRed all property/atom fracRed_all vector yes no no 0. 0. 0. +fix rhoeff all property/atom rhoeff vector yes no no 0. 0. 0. 0. fix Aterm all property/atom Aterm vector yes no no 0. 0. 0. fix Bterm all property/atom Bterm vector yes no no 0. 0. 0. fix Massterm all property/atom Massterm scalar yes no no 0. From ba3f79095e1fb0b35c177fca2d81e60437200db6 Mon Sep 17 00:00:00 2001 From: danielque Date: Thu, 8 Aug 2019 17:12:22 +0200 Subject: [PATCH 36/92] clean up whitespaces [ci skip] --- .../30CO6H2_Hematite/DEM/in.liggghts_run | 40 +++++++++---------- 1 file changed, 20 insertions(+), 20 deletions(-) diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/DEM/in.liggghts_run b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/DEM/in.liggghts_run index 146214c3..e115d2c3 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/DEM/in.liggghts_run +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/DEM/in.liggghts_run @@ -51,8 +51,8 @@ fix cfd2 all couple/cfd/force fix cfd3 all couple/cfd/chemistry n_species 5 species_names H2 H2O CO CO2 N2 n_diff 2 diffusant_names CO H2 # Activate for 3-layer unreacted core shrink model -fix cfd5 all chem/shrink/core speciesA CO molMassA 0.02801 speciesC CO2 molMassC 0.04401 kch2 0.375161 screen no nevery 1 -fix cfd6 all chem/shrink/core speciesA H2 molMassA 0.00202 speciesC H2O molMassC 0.01801 kch2 0.0044738 screen no nevery 1 +fix cfd5 all chem/shrink/core speciesA CO molMassA 0.02801 speciesC CO2 molMassC 0.04401 kch2 0.375161 screen no nevery 1 +fix cfd6 all chem/shrink/core speciesA H2 molMassA 0.00202 speciesC H2O molMassC 0.01801 kch2 0.0044738 screen no nevery 1 #0.34 #0.06 @@ -61,12 +61,12 @@ fix cfd6 all chem/shrink/core speciesA H2 molMassA 0.00202 speciesC H2O molM fix k0_CO all property/global k0_cfd5 vector 17 25 2700 fix Ea_CO all property/global Ea_cfd5 vector 69488 73674 113859 -fix k0_H2 all property/global k0_cfd6 vector 30 23 160 -fix Ea_H2 all property/global Ea_cfd6 vector 63627 71162 92092 +fix k0_H2 all property/global k0_cfd6 vector 30 23 160 +fix Ea_H2 all property/global Ea_cfd6 vector 63627 71162 92092 # particle porosity/tortuosity/pore diameter -fix porosity all property/atom porosity_ vector yes no no 0.598 0.2122 0.0399 0.02 -fix tortuosity all property/global tortuosity_ scalar 3 +fix porosity all property/atom porosity_ vector yes no no 0.598 0.2122 0.0399 0.02 +fix tortuosity all property/global tortuosity_ scalar 3 fix pore_diameter all property/global pore_diameter_ scalar 1e-6 # Material properties for unreacted chemical shrink core (activate only when chem/shrink/core is active) @@ -77,17 +77,17 @@ fix molMass all property/global molMass_all vector 0.055845 0.071844 0.23153 fix layerRelRad all property/atom relRadii vector yes no no 1.0 0.998 0.995 0.98 # define fix for mass layer - initial testing -fix massLayer all property/atom massLayer vector no no no 0. 0. 0. 0. +fix massLayer all property/atom massLayer vector no no no 0. 0. 0. 0. ## debug fixes ## # fix to compute fracRed fix fracRed all property/atom fracRed_all vector yes no no 0. 0. 0. fix rhoeff all property/atom rhoeff vector yes no no 0. 0. 0. 0. -fix Aterm all property/atom Aterm vector yes no no 0. 0. 0. -fix Bterm all property/atom Bterm vector yes no no 0. 0. 0. -fix Massterm all property/atom Massterm scalar yes no no 0. -fix effDiffBinary all property/atom effDiffBinary vector yes no no 0. 0. 0. -fix effDiffKnud all property/atom effDiffKnud vector yes no no 0. 0. 0. +fix Aterm all property/atom Aterm vector yes no no 0. 0. 0. +fix Bterm all property/atom Bterm vector yes no no 0. 0. 0. +fix Massterm all property/atom Massterm scalar yes no no 0. +fix effDiffBinary all property/atom effDiffBinary vector yes no no 0. 0. 0. +fix effDiffKnud all property/atom effDiffKnud vector yes no no 0. 0. 0. # apply nve integration to all particles that are inserted as single particles # fix integr all nve/sphere @@ -114,48 +114,48 @@ fix redRad4 all ave/time 1000 1 1000 c_layerRad4 file relRad4.dat #### give information to file compute Aterm_red all reduce sum f_Aterm[1] f_Aterm[2] f_Aterm[3] -fix Aterm1 all ave/time 100 1 100 c_Aterm_red[1] c_Aterm_red[2] c_Aterm_red[3] +fix Aterm1 all ave/time 100 1 100 c_Aterm_red[1] c_Aterm_red[2] c_Aterm_red[3] variable a1 equal f_Aterm1[1] variable a2 equal f_Aterm1[2] variable a3 equal f_Aterm1[3] compute Bterm_red all reduce sum f_Bterm[1] f_Bterm[2] f_Bterm[3] -fix Bterm1 all ave/time 100 1 100 c_Bterm_red[1] c_Bterm_red[2] c_Bterm_red[3] +fix Bterm1 all ave/time 100 1 100 c_Bterm_red[1] c_Bterm_red[2] c_Bterm_red[3] variable b1 equal f_Bterm1[1] variable b2 equal f_Bterm1[2] variable b3 equal f_Bterm1[3] compute Massterm_red all reduce sum f_Massterm -fix Massterm1 all ave/time 100 1 100 c_Massterm_red +fix Massterm1 all ave/time 100 1 100 c_Massterm_red variable mt1 equal f_Massterm1 compute fracRedTerm all reduce sum f_fracRed[1] f_fracRed[2] f_fracRed[3] -fix fracRed1 all ave/time 100 1 100 c_fracRedTerm[1] c_fracRedTerm[2] c_fracRedTerm[3] +fix fracRed1 all ave/time 100 1 100 c_fracRedTerm[1] c_fracRedTerm[2] c_fracRedTerm[3] variable fr1 equal f_fracRed1[1] variable fr2 equal f_fracRed1[2] variable fr3 equal f_fracRed1[3] compute effDiffBinary_red all reduce sum f_effDiffBinary[1] f_effDiffBinary[2] f_effDiffBinary[3] -fix effDiffBinary1 all ave/time 1000 1 1000 c_effDiffBinary_red[1] c_effDiffBinary_red[2] c_effDiffBinary_red[3] +fix effDiffBinary1 all ave/time 1000 1 1000 c_effDiffBinary_red[1] c_effDiffBinary_red[2] c_effDiffBinary_red[3] variable dij1 equal f_effDiffBinary1[1] variable dij2 equal f_effDiffBinary1[2] variable dij3 equal f_effDiffBinary1[3] compute effDiffKnud_red all reduce sum f_effDiffKnud[1] f_effDiffKnud[2] f_effDiffKnud[3] -fix effDiffKnud1 all ave/time 1000 1 1000 c_effDiffKnud_red[1] c_effDiffKnud_red[2] c_effDiffKnud_red[3] +fix effDiffKnud1 all ave/time 1000 1 1000 c_effDiffKnud_red[1] c_effDiffKnud_red[2] c_effDiffKnud_red[3] variable dik1 equal f_effDiffKnud1[1] variable dik2 equal f_effDiffKnud1[2] variable dik3 equal f_effDiffKnud1[3] compute porosity_red all reduce sum f_porosity[1] f_porosity[2] f_porosity[3] f_porosity[4] -fix porosity1 all ave/time 1000 1 1000 c_porosity_red[1] c_porosity_red[2] c_porosity_red[3] c_porosity_red[4] +fix porosity1 all ave/time 1000 1 1000 c_porosity_red[1] c_porosity_red[2] c_porosity_red[3] c_porosity_red[4] variable p1 equal f_porosity1[1] variable p2 equal f_porosity1[2] variable p3 equal f_porosity1[3] variable p4 equal f_porosity1[4] compute mass_layer all reduce sum f_massLayer[1] f_massLayer[2] f_massLayer[3] f_massLayer[4] -fix massLayerPrintout all ave/time 100 1 100 c_mass_layer[1] c_mass_layer[2] c_mass_layer[3] c_mass_layer[4] +fix massLayerPrintout all ave/time 100 1 100 c_mass_layer[1] c_mass_layer[2] c_mass_layer[3] c_mass_layer[4] variable mL1 equal f_massLayerPrintout[1] variable mL2 equal f_massLayerPrintout[2] variable mL3 equal f_massLayerPrintout[3] From d67d861f6fbc64a932e7fee8bc3a1bfc496ecde2 Mon Sep 17 00:00:00 2001 From: danielque Date: Thu, 8 Aug 2019 17:42:32 +0200 Subject: [PATCH 37/92] fix up poperty/atom name in Spreitzer chemistry tutorial [ci skip] --- .../Spreitzer_FluidBedCases/Spreitzer_R2/DEM/in.liggghts_run | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/DEM/in.liggghts_run b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/DEM/in.liggghts_run index 4249564a..b0f424b7 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/DEM/in.liggghts_run +++ b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/DEM/in.liggghts_run @@ -94,7 +94,7 @@ fix LayerRelRadii all property/atom relRadii vector yes no no 1.0 0.9999 0.9 fix LayerMasses all property/atom massLayer vector yes no no 0. 0. 0. 0. ## define fix for rho_eff and fracRed - initialize as zero -fix fracRed all property/atom fracRed vector yes no no 0. 0. 0. +fix fracRed all property/atom fracRed_all vector yes no no 0. 0. 0. fix rhoeff all property/atom rhoeff vector yes no no 0. 0. 0. 0. fix dY_cfd5 all property/atom dY_cfd5 vector yes yes no 0. 0. 0. fix dY_cfd6 all property/atom dY_cfd6 vector yes yes no 0. 0. 0. From 5d606017dc01975fee016d8fbee6c5ad024c16c6 Mon Sep 17 00:00:00 2001 From: danielque Date: Fri, 9 Aug 2019 12:51:22 +0200 Subject: [PATCH 38/92] update deprecated Foam settings [ci skip] --- .../Spreitzer_R2/CFD/system/controlDict | 8 ++++---- 1 file changed, 4 insertions(+), 4 deletions(-) diff --git a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/system/controlDict b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/system/controlDict index d1e66f80..97ce935b 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/system/controlDict +++ b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/system/controlDict @@ -69,8 +69,8 @@ functions type residuals; functionObjectLibs ("libutilityFunctionObjects.so"); enabled true; - outputControl timeStep; - outputInterval 1; + writeControl timeStep; + writeInterval 1; fields ( @@ -84,8 +84,8 @@ functions type residuals; functionObjectLibs ("libutilityFunctionObjects.so"); enabled true; - outputControl timeStep; - outputInterval 1; + writeControl timeStep; + writeInterval 1; fields ( From 5d402bb4f9661089555bf3d5c60d3b11821addeb Mon Sep 17 00:00:00 2001 From: danielque Date: Fri, 9 Aug 2019 12:54:08 +0200 Subject: [PATCH 39/92] write output into post folder [ci skip] --- .../Spreitzer_FluidBedCases/Spreitzer_R2/DEM/in.liggghts_run | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/DEM/in.liggghts_run b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/DEM/in.liggghts_run index b0f424b7..80752548 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/DEM/in.liggghts_run +++ b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/DEM/in.liggghts_run @@ -298,8 +298,8 @@ compute_modify thermo_temp dynamic yes dump dmp all custom ${WI} ../DEM/post/dump.liggghts_run id type x y z vx vy vz fx fy fz omegax omegay omegaz radius -dump tstdmp2 all custom 250000 ../DEM/dumptest.liggghts_run id type x y z vx vy vz f_Aterm_cfd5[1] f_Aterm_cfd5[2] f_Aterm_cfd5[3] f_Aterm_cfd6[1] f_Aterm_cfd6[2] f_Aterm_cfd6[3] f_Bterm_cfd5[1] f_Bterm_cfd5[2] f_Bterm_cfd5[3] f_Bterm_cfd6[1] f_Bterm_cfd6[2] f_Bterm_cfd6[3] f_Massterm_cfd5 f_Massterm_cfd6 f_X_CO f_X_H2 f_X_CO2 f_X_H2O f_fracRed[1] f_fracRed[2] f_fracRed[3] +dump tstdmp2 all custom 250000 ../DEM/post/dumptest.liggghts_run id type x y z vx vy vz f_Aterm_cfd5[1] f_Aterm_cfd5[2] f_Aterm_cfd5[3] f_Aterm_cfd6[1] f_Aterm_cfd6[2] f_Aterm_cfd6[3] f_Bterm_cfd5[1] f_Bterm_cfd5[2] f_Bterm_cfd5[3] f_Bterm_cfd6[1] f_Bterm_cfd6[2] f_Bterm_cfd6[3] f_Massterm_cfd5 f_Massterm_cfd6 f_X_CO f_X_H2 f_X_CO2 f_X_H2O f_fracRed[1] f_fracRed[2] f_fracRed[3] -#dump tstdmp3 all custom 250000 ../DEM/dumpDIFF.liggghts_run id type x y z vx vy vz f_effDiffBinary_cfd5[1] f_effDiffBinary_cfd5[2] f_effDiffBinary_cfd5[3] f_effDiffBinary_cfd6[1] f_effDiffBinary_cfd6[2] f_effDiffBinary_cfd6[3] +#dump tstdmp3 all custom 250000 ../DEM/post/dumpDIFF.liggghts_run id type x y z vx vy vz f_effDiffBinary_cfd5[1] f_effDiffBinary_cfd5[2] f_effDiffBinary_cfd5[3] f_effDiffBinary_cfd6[1] f_effDiffBinary_cfd6[2] f_effDiffBinary_cfd6[3] run 1 From bb65be3c6bd06e26fc576b5038cb1842b1d61302 Mon Sep 17 00:00:00 2001 From: danielque Date: Fri, 9 Aug 2019 12:57:59 +0200 Subject: [PATCH 40/92] make parallel decomposition more flexible --- .../Spreitzer_FluidBedCases/Spreitzer_R2/DEM/in.liggghts_run | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/DEM/in.liggghts_run b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/DEM/in.liggghts_run index 80752548..9b38db60 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/DEM/in.liggghts_run +++ b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/DEM/in.liggghts_run @@ -12,7 +12,7 @@ boundary f f f newton off units si -processors 4 1 2 +processors * 1 2 # read the restart file read_restart ../DEM/post/restart/liggghts.restart From a58098cc971cd58a639811456bfc5c5804c9f794 Mon Sep 17 00:00:00 2001 From: danielque Date: Fri, 9 Aug 2019 13:19:10 +0200 Subject: [PATCH 41/92] adapt settings for test harness [ci skip] --- .../{controlDict.foam => controlDict_test} | 73 +++++++++---------- .../CFD/system/decomposeParDict_test | 45 ++++++++++++ .../Spreitzer_R2/prerun.sh | 7 +- .../Spreitzer_R2/run.config | 2 +- 4 files changed, 88 insertions(+), 39 deletions(-) rename tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/system/{controlDict.foam => controlDict_test} (75%) create mode 100644 tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/system/decomposeParDict_test diff --git a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/system/controlDict.foam b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/system/controlDict_test similarity index 75% rename from tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/system/controlDict.foam rename to tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/system/controlDict_test index 9b4017ce..999e1f14 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/system/controlDict.foam +++ b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/system/controlDict_test @@ -15,7 +15,7 @@ FoamFile } // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // -application cfdemSolverRhoPimpleChem; +application cfdemSolverRhoPimpleChem; startFrom startTime; @@ -23,15 +23,15 @@ startTime 0.0; stopAt endTime; -endTime 1; +endTime 0.5; -deltaT 0.0001; +deltaT 0.0005; -writeControl timeStep; // +writeControl timeStep; -writeInterval 50; //500; +writeInterval 500; -purgeWrite 10; +purgeWrite 0; writeFormat ascii; @@ -53,7 +53,7 @@ maxDeltaT 0.1; // ************************************************************************* // - libs ( + libs ( "libfieldFunctionObjects.so" ); @@ -61,16 +61,16 @@ functions { moleFrac { - type rhoReactionThermoMoleFractions; - } - + type rhoReactionThermoMoleFractions; + } + residuals { type residuals; functionObjectLibs ("libutilityFunctionObjects.so"); enabled true; - outputControl timeStep; - outputInterval 1; + writeControl timeStep; + writeInterval 1; fields ( @@ -78,14 +78,14 @@ functions U ); } - + gasResidual - { + { type residuals; functionObjectLibs ("libutilityFunctionObjects.so"); enabled true; - outputControl timeStep; - outputInterval 1; + writeControl timeStep; + writeInterval 1; fields ( @@ -96,36 +96,35 @@ functions N2 ); } - + probes1 { - type probes; + type probes; functionObjectLibs ("libsampling.so"); - #include "probesDict"; + #include "probesDict"; } fieldMinMax1 { - type fieldMinMax; - libs ("libfieldFunctionObjects.so"); - fields (U); - // Report the location of the field extrema - location yes; - // Type of extrema for rank > 0 primitives - mode magnitude; // magnitude | component + type fieldMinMax; + libs ("libfieldFunctionObjects.so"); + fields (U); + // Report the location of the field extrema + location yes; + // Type of extrema for rank > 0 primitives + mode magnitude; // magnitude | component } - - + globalMassFrac - { + { type volRegion; libs ("libfieldFunctionObjects.so"); - writeControl timeStep;//outputTime; - writeInterval 1; + writeControl timeStep; + writeInterval 1; log true; writeFields false; regionType all; @@ -139,14 +138,14 @@ functions CO2 CO N2 - ); - } + ); + } globalMass - { + { type volRegion; libs ("libfieldFunctionObjects.so"); - writeControl timeStep;//outputTime; + writeControl timeStep; writeInterval 1; log true; writeFields false; @@ -158,7 +157,7 @@ functions rhoeps rho ); - } -} + } +} // ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/system/decomposeParDict_test b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/system/decomposeParDict_test new file mode 100644 index 00000000..51a49e57 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/system/decomposeParDict_test @@ -0,0 +1,45 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + location "system"; + object decomposeParDict; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +numberOfSubdomains 4; + +method simple; + +simpleCoeffs +{ + n (2 1 2); + delta 0.001; +} + +hierarchicalCoeffs +{ + n ( 1 1 1 ); + delta 0.001; + order xyz; +} + +manualCoeffs +{ + dataFile ""; +} + +distributed no; + +roots ( ); + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/prerun.sh b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/prerun.sh index 7b370ae7..bca98850 100755 --- a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/prerun.sh +++ b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/prerun.sh @@ -10,4 +10,9 @@ else echo "mesh needs to be built" cd $casePath/CFD blockMesh -fi \ No newline at end of file +fi + +# adapt settings for short run +cp $casePath/CFD/system/controlDict_test $casePath/CFD/system/controlDict +cp $casePath/CFD/system/decomposeParDict_test $casePath/CFD/system/decomposeParDict + diff --git a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/run.config b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/run.config index 43407cd4..8fbfcef3 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/run.config +++ b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/run.config @@ -11,7 +11,7 @@ "depends_on" : "liggghts-init", "solver" : "cfdemSolverRhoPimpleChem", "type" : "CFDEMcoupling/mpi", - "nprocs" : 8, + "nprocs" : 4, "pre_scripts" : ["prerun.sh"], "post_scripts" : ["postrun.sh"] } From 8b74c167be973f3373950d133f33a680084ce35c Mon Sep 17 00:00:00 2001 From: danielque Date: Fri, 9 Aug 2019 15:01:12 +0200 Subject: [PATCH 42/92] fix test harness run configuration [ci skip] --- .../SingleParticleCases/30CO6H2_Hematite/run.config | 3 ++- .../Spreitzer_FluidBedCases/Spreitzer_R2/DEM/in.liggghts_init | 2 +- .../Spreitzer_FluidBedCases/Spreitzer_R2/run.config | 3 ++- 3 files changed, 5 insertions(+), 3 deletions(-) diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/run.config b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/run.config index cb21decd..17e0cac4 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/run.config +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/run.config @@ -4,7 +4,8 @@ { "name" : "liggghts-init", "input_script" : "DEM/in.liggghts_init", - "type" : "liggghts/serial" + "type" : "liggghts/mpi", + "nprocs" : 2 }, { "name" : "cfdemrun", diff --git a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/DEM/in.liggghts_init b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/DEM/in.liggghts_init index 4182355e..0c617054 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/DEM/in.liggghts_init +++ b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/DEM/in.liggghts_init @@ -10,7 +10,7 @@ boundary f f f newton off units si -processors 4 1 2 +processors * 1 2 region reg block 0.0 0.06 0.0 0.15 0.0 0.06 units box create_box 1 reg diff --git a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/run.config b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/run.config index 8fbfcef3..74ab523b 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/run.config +++ b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/run.config @@ -4,7 +4,8 @@ { "name" : "liggghts-init", "input_script" : "DEM/in.liggghts_init", - "type" : "liggghts/serial" + "type" : "liggghts/mpi", + "nprocs" : 4 }, { "name" : "cfdemrun", From d5f331c83176f5bcd70f83c9d30ed6528ad5cd00 Mon Sep 17 00:00:00 2001 From: danielque Date: Fri, 9 Aug 2019 15:37:07 +0200 Subject: [PATCH 43/92] testharnes does not yet support #include directives in OF dictionaries --- .../30CO6H2_Hematite/CFD/system/controlDict | 7 +- .../CFD/system/controlDict_test | 151 ++++++++++++++++++ .../30CO6H2_Hematite/prerun.sh | 6 +- .../Spreitzer_R2/CFD/system/controlDict_test | 44 ++++- 4 files changed, 200 insertions(+), 8 deletions(-) create mode 100644 tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/system/controlDict_test diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/system/controlDict b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/system/controlDict index ed95c9f6..746c0af4 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/system/controlDict +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/system/controlDict @@ -53,9 +53,10 @@ maxDeltaT 0.1; // ************************************************************************* // - libs ( - "libfieldFunctionObjects.so" - ); +libs +( + "libfieldFunctionObjects.so" +); functions { diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/system/controlDict_test b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/system/controlDict_test new file mode 100644 index 00000000..2d6de853 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/system/controlDict_test @@ -0,0 +1,151 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + location "system"; + object controlDict; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +application cfdemSolverRhoPimpleChem; + +startFrom startTime; + +startTime 0; + +stopAt endTime; + +endTime 11000.0; + +deltaT 1; + +writeControl runTime; + +writeInterval 1000; + +purgeWrite 0; + +writeFormat ascii; + +writePrecision 10; + +writeCompression off; + +timeFormat general; + +timePrecision 6; + +runTimeModifiable false; + +adjustTimeStep no; + +maxCo 0.5; + +maxDeltaT 0.1; + + +// ************************************************************************* // +libs +( + "libfieldFunctionObjects.so" +); + +functions +{ + moleFrac + { + type rhoReactionThermoMoleFractions; + } + + probes1 + { + type probes; + + functionObjectLibs ("libsampling.so"); + + fields + ( + rho + p + T + molC + N2 + CO2 + CO + H2 + H2O + ModSpeciesMassField_N2 + ModSpeciesMassField_CO2 + ModSpeciesMassField_CO + ModSpeciesMassField_H2 + ModSpeciesMassField_H2O + X_CO + X_CO2 + X_H2 + X_N2 + X_H2O + ); + + writeControl timeStep; + writeInterval 10; + + // Locations to be probed + probeLocations + ( + (7.0 2.5 2.5) + (8.0 2.5 2.5) + (1.0 2.5 2.5) + ); + + } + + globalMassFrac + { + type volRegion; + libs ("libfieldFunctionObjects.so"); + writeControl timeStep;//outputTime; + writeInterval 1; + log true; + writeFields false; + regionType all; + name c0; + operation weightedVolAverage; + weightField rhoeps; + fields + ( + H2 + CO2 + CO + N2 + H2O + ); + } + + globalMass + { + type volRegion; + libs ("libfieldFunctionObjects.so"); + writeControl timeStep;//outputTime; + writeInterval 1; + log true; + writeFields false; + regionType all; + name c1; + operation volIntegrate; + fields + ( + rhoeps + rho + ); + } +} + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/prerun.sh b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/prerun.sh index 7b370ae7..bee37f2d 100755 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/prerun.sh +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/prerun.sh @@ -10,4 +10,8 @@ else echo "mesh needs to be built" cd $casePath/CFD blockMesh -fi \ No newline at end of file +fi + +# adapt settings for test harness run +cp $casePath/CFD/system/controlDict_test $casePath/CFD/system/controlDict + diff --git a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/system/controlDict_test b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/system/controlDict_test index 999e1f14..1773f218 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/system/controlDict_test +++ b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/system/controlDict_test @@ -53,9 +53,10 @@ maxDeltaT 0.1; // ************************************************************************* // - libs ( - "libfieldFunctionObjects.so" - ); +libs +( + "libfieldFunctionObjects.so" +); functions { @@ -103,7 +104,42 @@ functions functionObjectLibs ("libsampling.so"); - #include "probesDict"; + fields + ( + rho + p + T + molC + N2 + CO2 + CO + H2 + H2O + ModSpeciesMassField_N2 + ModSpeciesMassField_CO2 + ModSpeciesMassField_CO + ModSpeciesMassField_H2 + ModSpeciesMassField_H2O + X_CO + X_CO2 + X_H2 + X_H2O + X_N2 + ); + + writeControl timeStep; + writeInterval 10000; + + // Locations to be probed + probeLocations + ( + (0.03 0.025 0.03) + (0.03 0.05 0.03) + (0.03 0.075 0.03) + (0.03 0.09 0.03) + (0.03 0.12 0.03) + ); + } From 4f8d2dc676e48b89cc09833efbfb5f6ba12002cc Mon Sep 17 00:00:00 2001 From: danielque Date: Fri, 9 Aug 2019 16:09:21 +0200 Subject: [PATCH 44/92] replace $casePath/CFD with $FOAM_CASE --- .../30CO6H2_Hematite/CFD/constant/couplingProperties | 4 ++-- .../30CO6H2_Hematite/CFD/constant/thermophysicalProperties | 4 ++-- .../Spreitzer_R2/CFD/constant/couplingProperties | 4 ++-- .../Spreitzer_R2/CFD/constant/thermophysicalProperties | 4 ++-- 4 files changed, 8 insertions(+), 8 deletions(-) diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/couplingProperties b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/couplingProperties index 9bd19810..f275d02b 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/couplingProperties +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/couplingProperties @@ -104,7 +104,7 @@ reactionHeatProps speciesProps { - ChemistryFile "$casePath/CFD/constant/foam.inp"; + ChemistryFile "$FOAM_CASE/constant/foam.inp"; Nevery 1; verbose true; } @@ -112,7 +112,7 @@ speciesProps diffusionCoefficientsProps { verbose false; - ChemistryFile "$casePath/CFD/constant/foam.inp"; + ChemistryFile "$FOAM_CASE/constant/foam.inp"; diffusantGasNames ( CO H2 ); diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/thermophysicalProperties b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/thermophysicalProperties index 354a9251..5b0734ff 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/thermophysicalProperties +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/thermophysicalProperties @@ -28,9 +28,9 @@ thermoType chemistryReader foamChemistryReader; -foamChemistryThermoFile "$casePath/CFD/constant/foam.dat"; +foamChemistryThermoFile "$FOAM_CASE/constant/foam.dat"; -foamChemistryFile "$casePath/CFD/constant/foam.inp"; +foamChemistryFile "$FOAM_CASE/constant/foam.inp"; inertSpecie N2; /*liquids diff --git a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/constant/couplingProperties b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/constant/couplingProperties index 7e087b4d..70f5101a 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/constant/couplingProperties +++ b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/constant/couplingProperties @@ -98,7 +98,7 @@ heatTransferGunnProps speciesProps { - ChemistryFile "$casePath/CFD/constant/foam.inp"; + ChemistryFile "$FOAM_CASE/constant/foam.inp"; Nevery 1; verbose false; } @@ -106,7 +106,7 @@ speciesProps diffusionCoefficientsProps { verbose false; - ChemistryFile "$casePath/CFD/constant/foam.inp"; + ChemistryFile "$FOAM_CASE/constant/foam.inp"; diffusantGasNames ( CO H2 ); diff --git a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/constant/thermophysicalProperties b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/constant/thermophysicalProperties index 7a627bc0..21b451e2 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/constant/thermophysicalProperties +++ b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/constant/thermophysicalProperties @@ -28,9 +28,9 @@ thermoType chemistryReader foamChemistryReader; -foamChemistryThermoFile "$casePath/CFD/constant/foam.dat"; +foamChemistryThermoFile "$FOAM_CASE/constant/foam.dat"; -foamChemistryFile "$casePath/CFD/constant/foam.inp"; +foamChemistryFile "$FOAM_CASE/constant/foam.inp"; inertSpecie N2; From 89c6f87e0cba96d89e681c0c949adc35e6d3c6f9 Mon Sep 17 00:00:00 2001 From: danielque Date: Fri, 9 Aug 2019 16:20:17 +0200 Subject: [PATCH 45/92] display info only if verbose is true [ci skip] --- .../cfdemParticle/subModels/chemistryModel/species/species.C | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/lagrangian/cfdemParticle/subModels/chemistryModel/species/species.C b/src/lagrangian/cfdemParticle/subModels/chemistryModel/species/species.C index 570a9127..40fe16f6 100644 --- a/src/lagrangian/cfdemParticle/subModels/chemistryModel/species/species.C +++ b/src/lagrangian/cfdemParticle/subModels/chemistryModel/species/species.C @@ -300,7 +300,7 @@ void species::execute() particleCloud_.dataExchangeM().giveData("X_"+speciesNames_[i],"scalar-atom",molarFractions_[i]); }; - Info << "give data done" << endl; + if (verbose_) Info << "give data done" << endl; // pull changeOfSpeciesMass_, transform onto fields changeOfSpeciesMassFields_, add them up on changeOfGasMassField_ scalar timestep = mesh_.time().deltaTValue(); From b4e891bdd924652c9cc4fe0bc62b0c505eebd349 Mon Sep 17 00:00:00 2001 From: danielque Date: Mon, 12 Aug 2019 12:15:14 +0200 Subject: [PATCH 46/92] move probe definitions to controlDict until testharness properly supports #include directives --- .../30CO6H2_Hematite/CFD/system/controlDict | 35 ++++++++++++++- .../CFD/system/controlDict_test | 4 +- .../Spreitzer_R2/CFD/system/controlDict | 44 +++++++++++++++++-- 3 files changed, 76 insertions(+), 7 deletions(-) diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/system/controlDict b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/system/controlDict index 746c0af4..2d6de853 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/system/controlDict +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/system/controlDict @@ -71,7 +71,40 @@ functions functionObjectLibs ("libsampling.so"); - #include "probesDict"; + fields + ( + rho + p + T + molC + N2 + CO2 + CO + H2 + H2O + ModSpeciesMassField_N2 + ModSpeciesMassField_CO2 + ModSpeciesMassField_CO + ModSpeciesMassField_H2 + ModSpeciesMassField_H2O + X_CO + X_CO2 + X_H2 + X_N2 + X_H2O + ); + + writeControl timeStep; + writeInterval 10; + + // Locations to be probed + probeLocations + ( + (7.0 2.5 2.5) + (8.0 2.5 2.5) + (1.0 2.5 2.5) + ); + } globalMassFrac diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/system/controlDict_test b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/system/controlDict_test index 2d6de853..236098c5 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/system/controlDict_test +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/system/controlDict_test @@ -23,13 +23,13 @@ startTime 0; stopAt endTime; -endTime 11000.0; +endTime 1500.0; deltaT 1; writeControl runTime; -writeInterval 1000; +writeInterval 500; purgeWrite 0; diff --git a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/system/controlDict b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/system/controlDict index 97ce935b..c48787db 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/system/controlDict +++ b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/system/controlDict @@ -53,9 +53,10 @@ maxDeltaT 0.1; // ************************************************************************* // - libs ( - "libfieldFunctionObjects.so" - ); +libs +( + "libfieldFunctionObjects.so" +); functions { @@ -103,7 +104,42 @@ functions functionObjectLibs ("libsampling.so"); - #include "probesDict"; + fields + ( + rho + p + T + molC + N2 + CO2 + CO + H2 + H2O + ModSpeciesMassField_N2 + ModSpeciesMassField_CO2 + ModSpeciesMassField_CO + ModSpeciesMassField_H2 + ModSpeciesMassField_H2O + X_CO + X_CO2 + X_H2 + X_H2O + X_N2 + ); + + writeControl timeStep; + writeInterval 10000; + + // Locations to be probed + probeLocations + ( + (0.03 0.025 0.03) + (0.03 0.05 0.03) + (0.03 0.075 0.03) + (0.03 0.09 0.03) + (0.03 0.12 0.03) + ); + } From b381009d4b5a88e4805a6638e5772cf9b9ca97c3 Mon Sep 17 00:00:00 2001 From: danielque Date: Mon, 12 Aug 2019 12:55:34 +0200 Subject: [PATCH 47/92] add probes name [ci skip] test harness expects name field --- .../SingleParticleCases/30CO6H2_Hematite/CFD/system/controlDict | 2 ++ .../30CO6H2_Hematite/CFD/system/controlDict_test | 2 ++ .../Spreitzer_FluidBedCases/Spreitzer_R2/CFD/system/controlDict | 2 ++ .../Spreitzer_R2/CFD/system/controlDict_test | 2 ++ 4 files changed, 8 insertions(+) diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/system/controlDict b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/system/controlDict index 2d6de853..ed023c00 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/system/controlDict +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/system/controlDict @@ -71,6 +71,8 @@ functions functionObjectLibs ("libsampling.so"); + name probes1; + fields ( rho diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/system/controlDict_test b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/system/controlDict_test index 236098c5..29e3f7c6 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/system/controlDict_test +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/system/controlDict_test @@ -71,6 +71,8 @@ functions functionObjectLibs ("libsampling.so"); + name probes1; + fields ( rho diff --git a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/system/controlDict b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/system/controlDict index c48787db..1efc026b 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/system/controlDict +++ b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/system/controlDict @@ -104,6 +104,8 @@ functions functionObjectLibs ("libsampling.so"); + name probes1; + fields ( rho diff --git a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/system/controlDict_test b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/system/controlDict_test index 1773f218..539edce6 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/system/controlDict_test +++ b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/system/controlDict_test @@ -104,6 +104,8 @@ functions functionObjectLibs ("libsampling.so"); + name probes1; + fields ( rho From da0c33b2cb51c782b7a6e15e5c7010a80653feea Mon Sep 17 00:00:00 2001 From: danielque Date: Mon, 12 Aug 2019 13:40:59 +0200 Subject: [PATCH 48/92] remove some fields from probes [ci skip] --- .../30CO6H2_Hematite/CFD/system/controlDict | 6 ------ .../30CO6H2_Hematite/CFD/system/controlDict_test | 6 ------ 2 files changed, 12 deletions(-) diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/system/controlDict b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/system/controlDict index ed023c00..333928c6 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/system/controlDict +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/system/controlDict @@ -78,17 +78,11 @@ functions rho p T - molC N2 CO2 CO H2 H2O - ModSpeciesMassField_N2 - ModSpeciesMassField_CO2 - ModSpeciesMassField_CO - ModSpeciesMassField_H2 - ModSpeciesMassField_H2O X_CO X_CO2 X_H2 diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/system/controlDict_test b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/system/controlDict_test index 29e3f7c6..6c2d7fc9 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/system/controlDict_test +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/system/controlDict_test @@ -78,17 +78,11 @@ functions rho p T - molC N2 CO2 CO H2 H2O - ModSpeciesMassField_N2 - ModSpeciesMassField_CO2 - ModSpeciesMassField_CO - ModSpeciesMassField_H2 - ModSpeciesMassField_H2O X_CO X_CO2 X_H2 From c89d46f633c5b3eb284290bb5afe3a8534442bfc Mon Sep 17 00:00:00 2001 From: danielque Date: Wed, 14 Aug 2019 15:03:52 +0200 Subject: [PATCH 49/92] fix setting of molar fractions in species.C Xfluid ended up uninitialized if interpolation was on (causing molarFractions_ to receive uninitialzed values) or no particles were found in partition (output to Info was uninitialzed) --- .../subModels/chemistryModel/species/species.C | 10 +--------- 1 file changed, 1 insertion(+), 9 deletions(-) diff --git a/src/lagrangian/cfdemParticle/subModels/chemistryModel/species/species.C b/src/lagrangian/cfdemParticle/subModels/chemistryModel/species/species.C index 40fe16f6..7192cc42 100644 --- a/src/lagrangian/cfdemParticle/subModels/chemistryModel/species/species.C +++ b/src/lagrangian/cfdemParticle/subModels/chemistryModel/species/species.C @@ -226,9 +226,7 @@ void species::execute() label cellI=0; scalar Tfluid(0); scalar rhofluid(0); - List Xfluid_; scalar voidfraction(1); - Xfluid_.setSize(speciesNames_.size()); scalar molarConcfluid(0); // defining interpolators for T, rho, voidfraction, molarConc @@ -257,11 +255,6 @@ void species::execute() rhofluid = rho_[cellI]; voidfraction = voidfraction_[cellI]; molarConcfluid = molarConc_[cellI]; - - for (int i = 0; i species::Smi (const label i) const From 110fba695a1b5f727f50dbe45c44672f2bc6b199 Mon Sep 17 00:00:00 2001 From: danielque Date: Wed, 14 Aug 2019 15:48:47 +0200 Subject: [PATCH 51/92] remove unnecessary temporary variable MixtureBinaryDiffusion_ is not used for anything else --- .../diffusionCoefficients/diffusionCoefficients.C | 14 ++++---------- 1 file changed, 4 insertions(+), 10 deletions(-) diff --git a/src/lagrangian/cfdemParticle/subModels/chemistryModel/diffusionCoefficients/diffusionCoefficients.C b/src/lagrangian/cfdemParticle/subModels/chemistryModel/diffusionCoefficients/diffusionCoefficients.C index 9343df03..0f6cce5a 100644 --- a/src/lagrangian/cfdemParticle/subModels/chemistryModel/diffusionCoefficients/diffusionCoefficients.C +++ b/src/lagrangian/cfdemParticle/subModels/chemistryModel/diffusionCoefficients/diffusionCoefficients.C @@ -168,8 +168,6 @@ void diffusionCoefficient::execute() Xfluid_.setSize(speciesNames_.size()); List XfluidDiffusant_(0); XfluidDiffusant_.setSize(diffusantGasNames_.size()); - List MixtureBinaryDiffusion_(0); - MixtureBinaryDiffusion_.setSize(diffusantGasNames_.size()); List TotalFraction_(0); TotalFraction_.setSize(diffusantGasNames_.size()); @@ -220,7 +218,6 @@ void diffusionCoefficient::execute() for (int j=0; j Date: Wed, 14 Aug 2019 16:19:47 +0200 Subject: [PATCH 55/92] clean up some formatting [ci skip] --- .../diffusionCoefficients.C | 71 ++++++++++--------- 1 file changed, 38 insertions(+), 33 deletions(-) diff --git a/src/lagrangian/cfdemParticle/subModels/chemistryModel/diffusionCoefficients/diffusionCoefficients.C b/src/lagrangian/cfdemParticle/subModels/chemistryModel/diffusionCoefficients/diffusionCoefficients.C index 8440f898..c2157536 100644 --- a/src/lagrangian/cfdemParticle/subModels/chemistryModel/diffusionCoefficients/diffusionCoefficients.C +++ b/src/lagrangian/cfdemParticle/subModels/chemistryModel/diffusionCoefficients/diffusionCoefficients.C @@ -96,7 +96,8 @@ diffusionCoefficient::~diffusionCoefficient() } // * * * * * * * * * * * * * * * private Member Functions * * * * * * * * * * * * * // - void diffusionCoefficient::allocateMyArrays() const + +void diffusionCoefficient::allocateMyArrays() const { double initVal=0.0; if (particleCloud_.dataExchangeM().maxNumberOfParticles() > 0) @@ -135,13 +136,14 @@ void diffusionCoefficient::init() (mesh_.lookupObject("X_"+diffusantGasNames_[j])); Xdiffusant_.set(j, &Xdiffusant); - if(verbose_) + if (verbose_) { Info << " Reading diffusing gas species list: " << diffusantGasNames_ << endl; Info << " Looking up diffusin gas species fields: " << "X_"+diffusantGasNames_[j] << endl; Info << " The molar fraction fields (Xdiffusant_i): " << Xdiffusant_[j].name() << nl << endl; } } + initialized_ = true; } @@ -172,67 +174,69 @@ void diffusionCoefficient::execute() for (int index=0; index=0) { if(interpolation_) { - vector position = particleCloud_.position(index); - Tfluid = TInterpolator_.interpolate(position,cellI); - Pfluid = PInterpolator_.interpolate(position,cellI); + vector position = particleCloud_.position(index); + Tfluid = TInterpolator_.interpolate(position,cellI); + Pfluid = PInterpolator_.interpolate(position,cellI); } else { - Tfluid = tempField_[cellI]; - Pfluid = P_[cellI]; + Tfluid = tempField_[cellI]; + Pfluid = P_[cellI]; - for (int i = 0; i Date: Wed, 14 Aug 2019 17:05:21 +0200 Subject: [PATCH 56/92] remove outdated fix parameter --- .../SingleParticleCases/30CO6H2_Hematite/DEM/in.liggghts_run | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/DEM/in.liggghts_run b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/DEM/in.liggghts_run index e115d2c3..c9565516 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/DEM/in.liggghts_run +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/DEM/in.liggghts_run @@ -51,8 +51,8 @@ fix cfd2 all couple/cfd/force fix cfd3 all couple/cfd/chemistry n_species 5 species_names H2 H2O CO CO2 N2 n_diff 2 diffusant_names CO H2 # Activate for 3-layer unreacted core shrink model -fix cfd5 all chem/shrink/core speciesA CO molMassA 0.02801 speciesC CO2 molMassC 0.04401 kch2 0.375161 screen no nevery 1 -fix cfd6 all chem/shrink/core speciesA H2 molMassA 0.00202 speciesC H2O molMassC 0.01801 kch2 0.0044738 screen no nevery 1 +fix cfd5 all chem/shrink/core speciesA CO molMassA 0.02801 speciesC CO2 molMassC 0.04401 screen no nevery 1 +fix cfd6 all chem/shrink/core speciesA H2 molMassA 0.00202 speciesC H2O molMassC 0.01801 screen no nevery 1 #0.34 #0.06 From 04ecb57c167b304bd87b9ef66623cc2285593f66 Mon Sep 17 00:00:00 2001 From: danielque Date: Wed, 14 Aug 2019 17:17:21 +0200 Subject: [PATCH 57/92] update input script due to internal changes [ci skip] the relevant settings have been moved to internal fixes managed by fix chem/shrink/core --- .../30CO6H2_Hematite/DEM/in.liggghts_run | 20 +++++++++---------- 1 file changed, 9 insertions(+), 11 deletions(-) diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/DEM/in.liggghts_run b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/DEM/in.liggghts_run index c9565516..cf228fe9 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/DEM/in.liggghts_run +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/DEM/in.liggghts_run @@ -83,11 +83,6 @@ fix massLayer all property/atom massLayer vector no no no 0. 0. 0. 0. # fix to compute fracRed fix fracRed all property/atom fracRed_all vector yes no no 0. 0. 0. fix rhoeff all property/atom rhoeff vector yes no no 0. 0. 0. 0. -fix Aterm all property/atom Aterm vector yes no no 0. 0. 0. -fix Bterm all property/atom Bterm vector yes no no 0. 0. 0. -fix Massterm all property/atom Massterm scalar yes no no 0. -fix effDiffBinary all property/atom effDiffBinary vector yes no no 0. 0. 0. -fix effDiffKnud all property/atom effDiffKnud vector yes no no 0. 0. 0. # apply nve integration to all particles that are inserted as single particles # fix integr all nve/sphere @@ -100,6 +95,8 @@ variable rp equal radius[1] variable rho1 equal mass[1]/((4/3)*PI*radius[1]*radius[1]*radius[1]) fix printmass all print 1000 "${time} ${m1} ${rho1} ${rp}" file mass_rho_rad.txt title "#time mass rho rad_par" +############################################### +## Check Layer Radii and Write them to files ### compute layerRad1 all reduce sum f_layerRelRad[1] fix redRad1 all ave/time 1000 1 1000 c_layerRad1 file relRad1.dat @@ -112,20 +109,21 @@ fix redRad3 all ave/time 1000 1 1000 c_layerRad3 file relRad3.dat compute layerRad4 all reduce sum f_layerRelRad[4] fix redRad4 all ave/time 1000 1 1000 c_layerRad4 file relRad4.dat -#### give information to file -compute Aterm_red all reduce sum f_Aterm[1] f_Aterm[2] f_Aterm[3] +############################################### +#### Give information about resistance terms and molar fractions to specified files ### +compute Aterm_red all reduce sum f_Aterm_cfd5[1] f_Aterm_cfd5[2] f_Aterm_cfd5[3] fix Aterm1 all ave/time 100 1 100 c_Aterm_red[1] c_Aterm_red[2] c_Aterm_red[3] variable a1 equal f_Aterm1[1] variable a2 equal f_Aterm1[2] variable a3 equal f_Aterm1[3] -compute Bterm_red all reduce sum f_Bterm[1] f_Bterm[2] f_Bterm[3] +compute Bterm_red all reduce sum f_Bterm_cfd5[1] f_Bterm_cfd5[2] f_Bterm_cfd5[3] fix Bterm1 all ave/time 100 1 100 c_Bterm_red[1] c_Bterm_red[2] c_Bterm_red[3] variable b1 equal f_Bterm1[1] variable b2 equal f_Bterm1[2] variable b3 equal f_Bterm1[3] -compute Massterm_red all reduce sum f_Massterm +compute Massterm_red all reduce sum f_Massterm_cfd5 fix Massterm1 all ave/time 100 1 100 c_Massterm_red variable mt1 equal f_Massterm1 @@ -135,13 +133,13 @@ variable fr1 equal f_fracRed1[1] variable fr2 equal f_fracRed1[2] variable fr3 equal f_fracRed1[3] -compute effDiffBinary_red all reduce sum f_effDiffBinary[1] f_effDiffBinary[2] f_effDiffBinary[3] +compute effDiffBinary_red all reduce sum f_effDiffBinary_cfd5[1] f_effDiffBinary_cfd5[2] f_effDiffBinary_cfd5[3] fix effDiffBinary1 all ave/time 1000 1 1000 c_effDiffBinary_red[1] c_effDiffBinary_red[2] c_effDiffBinary_red[3] variable dij1 equal f_effDiffBinary1[1] variable dij2 equal f_effDiffBinary1[2] variable dij3 equal f_effDiffBinary1[3] -compute effDiffKnud_red all reduce sum f_effDiffKnud[1] f_effDiffKnud[2] f_effDiffKnud[3] +compute effDiffKnud_red all reduce sum f_effDiffKnud_cfd5[1] f_effDiffKnud_cfd5[2] f_effDiffKnud_cfd5[3] fix effDiffKnud1 all ave/time 1000 1 1000 c_effDiffKnud_red[1] c_effDiffKnud_red[2] c_effDiffKnud_red[3] variable dik1 equal f_effDiffKnud1[1] variable dik2 equal f_effDiffKnud1[2] From b518d6df8483d517b703d8a2603431ddac86268d Mon Sep 17 00:00:00 2001 From: ekinaci Date: Mon, 16 Sep 2019 16:25:48 +0200 Subject: [PATCH 58/92] Hematite Reduction Tutorial for Standardized ISO Conditions ISO4695 --- .../cfdemSolverRhoPimpleChem/ISO4695/Allclean | 35 ++ .../ISO4695/Allrun.sh | 50 +++ .../cfdemSolverRhoPimpleChem/ISO4695/CFD/0/CO | 52 +++ .../ISO4695/CFD/0/CO2 | 51 +++ .../ISO4695/CFD/0/Ksl | 51 +++ .../cfdemSolverRhoPimpleChem/ISO4695/CFD/0/N2 | 52 +++ .../ISO4695/CFD/0/Qsource | 51 +++ .../cfdemSolverRhoPimpleChem/ISO4695/CFD/0/T | 52 +++ .../cfdemSolverRhoPimpleChem/ISO4695/CFD/0/U | 49 +++ .../cfdemSolverRhoPimpleChem/ISO4695/CFD/0/Us | 48 +++ .../ISO4695/CFD/0/alphat | 47 +++ .../ISO4695/CFD/0/epsilon | 53 +++ .../cfdemSolverRhoPimpleChem/ISO4695/CFD/0/k | 47 +++ .../ISO4695/CFD/0/mut | 48 +++ .../ISO4695/CFD/0/nut | 51 +++ .../cfdemSolverRhoPimpleChem/ISO4695/CFD/0/p | 49 +++ .../ISO4695/CFD/0/p.org | 52 +++ .../ISO4695/CFD/0/rho | 50 +++ .../ISO4695/CFD/0/voidfraction | 51 +++ .../ISO4695/CFD/constant/chemistryProperties | 42 +++ .../ISO4695/CFD/constant/combustionProperties | 34 ++ .../ISO4695/CFD/constant/couplingProperties | 357 ++++++++++++++++++ .../ISO4695/CFD/constant/foam.dat | 111 ++++++ .../ISO4695/CFD/constant/foam.inp | 12 + .../ISO4695/CFD/constant/g | 22 ++ .../ISO4695/CFD/constant/liggghtsCommands | 43 +++ 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diff --git a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/Allclean b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/Allclean new file mode 100644 index 00000000..a27b0fac --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/Allclean @@ -0,0 +1,35 @@ +#!/bin/sh +#cd ${0%/*} || exit 1 # run from this directory + +# Source tutorial run functions +. $WM_PROJECT_DIR/bin/tools/CleanFunctions +source $CFDEM_PROJECT_DIR/etc/functions.sh + +#- define variables +casePath="$(dirname "$(readlink -f ${BASH_SOURCE[0]})")" +cd $casePath/CFD +cleanCase +# rm $casePath/CFD/rmass*.dat +#rm $casePath/CFD/*.dat +#rm $casePath/CFD/*.txt +rm $casePath/log* +#rm $casePath/run_error.log +#cp -R 0/Org/p 0/p +#cp -R 0/Org/U 0/U +#cp -R 0/Org/Us 0/Us +#cp -R 0/Org/phiIB 0/phiIB +#cp -R 0/Org/voidfraction 0/voidfraction + +rm -R $casePath/DEM/post +mkdir $casePath/DEM/post +mkdir $casePath/DEM/post/restart +#cd $casePath/DEM/post/restart +#touch liggghts.restart + +## if postproc is activated (in fix_chem_shrink) +#rm $casePath/changeOfCO2 +#rm $casePath/changeOfO2 +#rm $casePath/rhogas_ +#rm $casePath/pmass_ + +# ----------------------------------------------------------------- end-of-file diff --git a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/Allrun.sh b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/Allrun.sh new file mode 100755 index 00000000..5c5cfbbc --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/Allrun.sh @@ -0,0 +1,50 @@ +#!/bin/bash + +#===================================================================# +# allrun script for testcase as part of test routine +# run settlingTest +# Christoph Goniva - Sept. 2010 +#===================================================================# + +#- source CFDEM env vars +. ~/.bashrc + +#- include functions +source $CFDEM_PROJECT_DIR/etc/functions.sh + +#- define variables +casePath="$(dirname "$(readlink -f ${BASH_SOURCE[0]})")" +export casePath + +#cd $casePath/CFD +#blockMesh + +#$casePath/parDEMrun.sh + +#bash $casePath/parCFDDEMrun.sh + +export casePath +# check if mesh was built +if [ -f "$casePath/CFD/constant/polyMesh/points" ]; then + echo "mesh was built before - using old mesh" +else + echo "mesh needs to be built" + cd $casePath/CFD + blockMesh +fi + +if [ -f "$casePath/DEM/post/restart/liggghts.restart" ]; then + echo "LIGGGHTS init was run before - using existing restart file" +else + #- run DEM in new terminal + $casePath/parDEMrun.sh +fi + +#echo "Run Simulation" +#cd $casePath/CFD +#decomposePar +#mpirun -np $nrProcs $solverName -parallel | tee -a $logfileName + +#- run parallel CFD-DEM in new terminal +#gnome-terminal -e "bash $casePath/parCFDDEMrun.sh" +bash $casePath/parCFDDEMrun.sh diff --git a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/0/CO b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/0/CO new file mode 100644 index 00000000..b971c1ce --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/0/CO @@ -0,0 +1,52 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + location "0"; + object CO; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [0 0 0 0 0 0 0]; + +internalField uniform 0.4; + +boundaryField +{ + top + { + type zeroGradient; + } + + bottom + { + type zeroGradient; + } + + side-walls + { + type zeroGradient; + } + + inlet + { + type fixedValue; + value uniform 0.4; + } + + outlet + { + type zeroGradient; + } +} + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/0/CO2 b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/0/CO2 new file mode 100644 index 00000000..4ad6de47 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/0/CO2 @@ -0,0 +1,51 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + location "0"; + object CO2; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [0 0 0 0 0 0 0]; + +internalField uniform 0.0; + +boundaryField +{ + top + { + type zeroGradient; + } + + bottom + { + type zeroGradient; + } + + side-walls + { + type zeroGradient; + } + + inlet + { + type zeroGradient; + } + + outlet + { + type zeroGradient; + } +} + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/0/Ksl b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/0/Ksl new file mode 100644 index 00000000..bc087769 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/0/Ksl @@ -0,0 +1,51 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 1.6 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + location "0"; + object Ksl; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [1 -3 -1 0 0 0 0]; + +internalField uniform 0.0; + +boundaryField +{ + top + { + type zeroGradient; + } + + bottom + { + type zeroGradient; + } + + side-walls + { + type zeroGradient; + } + + inlet + { + type zeroGradient; + } + + outlet + { + type zeroGradient; + } +} + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/0/N2 b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/0/N2 new file mode 100644 index 00000000..ed7c9acc --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/0/N2 @@ -0,0 +1,52 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + location "0"; + object N2; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [0 0 0 0 0 0 0]; + +internalField uniform 0.6; + +boundaryField +{ + top + { + type zeroGradient; + } + + bottom + { + type zeroGradient; + } + + side-walls + { + type zeroGradient; + } + + inlet + { + type fixedValue; + value uniform 0.6; + } + + outlet + { + type zeroGradient; + } +} + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/0/Qsource b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/0/Qsource new file mode 100644 index 00000000..64313b48 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/0/Qsource @@ -0,0 +1,51 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + location "0"; + object Qsource; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [1 -1 -3 0 0 0 0]; + +internalField uniform 0; + +boundaryField +{ + top + { + type zeroGradient; + } + + bottom + { + type zeroGradient; + } + + side-walls + { + type zeroGradient; + } + + inlet + { + type zeroGradient; + } + + outlet + { + type zeroGradient; + } +} + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/0/T b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/0/T new file mode 100644 index 00000000..02b5cb3b --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/0/T @@ -0,0 +1,52 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + location "0"; + object T; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [0 0 0 1 0 0 0]; + +internalField uniform 1223.15; // 950 + 273.15 + +boundaryField +{ + top + { + type zeroGradient; + } + + bottom + { + type zeroGradient; + } + + side-walls + { + type zeroGradient; + } + + inlet + { + type fixedValue; + value uniform 1223.15; + } + + outlet + { + type zeroGradient; + } +} + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/0/U b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/0/U new file mode 100644 index 00000000..047777bd --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/0/U @@ -0,0 +1,49 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volVectorField; + location "0"; + object U; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [0 1 -1 0 0 0 0]; + +internalField uniform (0.011 0 0); + +boundaryField +{ + top + { + type zeroGradient; + } + bottom + { + type zeroGradient; + } + side-walls + { + type zeroGradient; + } + inlet + { + type fixedValue; + value uniform (0.011 0 0); + } + + outlet + { + type zeroGradient; + } +} + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/0/Us b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/0/Us new file mode 100644 index 00000000..a769f873 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/0/Us @@ -0,0 +1,48 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 1.6 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volVectorField; + location "0"; + object Us; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [0 1 -1 0 0 0 0]; + +internalField uniform (0 0 0); + +boundaryField +{ + top + { + type zeroGradient; + } + bottom + { + type zeroGradient; + } + side-walls + { + type zeroGradient; + } + + inlet + { + type zeroGradient; + } + + outlet + { + type zeroGradient; + } +} + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/0/alphat b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/0/alphat new file mode 100644 index 00000000..5176c807 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/0/alphat @@ -0,0 +1,47 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + location "0"; + object alphat; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [1 -1 -1 0 0 0 0]; + +internalField uniform 0; + +boundaryField +{ + top + { + type zeroGradient; + } + bottom + { + type zeroGradient; + } + side-walls + { + type zeroGradient; + } + inlet + { + type zeroGradient; + } + outlet + { + type zeroGradient; + } +} + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/0/epsilon b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/0/epsilon new file mode 100644 index 00000000..9810c397 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/0/epsilon @@ -0,0 +1,53 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + location "0"; + object epsilon; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [0 2 -3 0 0 0 0]; + +internalField uniform 0.003; + +boundaryField +{ + top + { + type zeroGradient; + } + bottom + { + type zeroGradient; + } + side-walls + { + type zeroGradient; + } + inlet + { + type zeroGradient; + // If turbulence is present + /* + * type compressible::turbulentMixingLengthDissipationRateInlet; + * mixingLength 0.005; + * value uniform 200; + */ + } + outlet + { + type zeroGradient; + } +} + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/0/k b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/0/k new file mode 100644 index 00000000..b076e39a --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/0/k @@ -0,0 +1,47 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + location "0"; + object k; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [0 2 -2 0 0 0 0]; + +internalField uniform 0.001; + +boundaryField +{ + top + { + type zeroGradient; + } + bottom + { + type zeroGradient; + } + side-walls + { + type zeroGradient; + } + inlet + { + type zeroGradient; + } + outlet + { + type zeroGradient; + } +} + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/0/mut b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/0/mut new file mode 100644 index 00000000..612df953 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/0/mut @@ -0,0 +1,48 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + location "0"; + object mut; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [1 -1 -1 0 0 0 0]; + +internalField uniform 0; + +boundaryField +{ + top + { + type zeroGradient; + } + bottom + { + type zeroGradient; + } + side-walls + { + type zeroGradient; + } + inlet + { + type zeroGradient; + } + + outlet + { + type zeroGradient; + } +} + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/0/nut b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/0/nut new file mode 100644 index 00000000..0027f055 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/0/nut @@ -0,0 +1,51 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 1.6 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + location "0"; + object nut; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [0 2 -1 0 0 0 0]; + +internalField uniform 0; + +boundaryField +{ + top + { + type zeroGradient; + } + + bottom + { + type zeroGradient; + } + + side-walls + { + type zeroGradient; + } + + inlet + { + type zeroGradient; + } + + outlet + { + type zeroGradient; + } +} + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/0/p b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/0/p new file mode 100644 index 00000000..4af5d3be --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/0/p @@ -0,0 +1,49 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + location "0"; + object p; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [1 -1 -2 0 0 0 0]; + +internalField uniform 101325; + +boundaryField +{ + top + { + type zeroGradient; + } + bottom + { + type zeroGradient; + } + side-walls + { + type zeroGradient; + } + inlet + { + type zeroGradient; + } + + outlet + { + type fixedValue; + value uniform 101325; + } +} + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/0/p.org b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/0/p.org new file mode 100644 index 00000000..af41df32 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/0/p.org @@ -0,0 +1,52 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + location "0"; + object p; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [1 -1 -2 0 0 0 0]; + +internalField uniform 101325; + +boundaryField +{ + top + { + type zeroGradient; + } + + bottom + { + type zeroGradient; + } + + side-walls + { + type zeroGradient; + } + + inlet + { + type zeroGradient; + } + + outlet + { + type fixedValue; + value uniform 101325; + } +} + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/0/rho b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/0/rho new file mode 100644 index 00000000..a5f53ea7 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/0/rho @@ -0,0 +1,50 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 1.6 | +| \\ / A nd | Web: http://www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + object rho; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [1 -3 0 0 0 0 0]; + +internalField uniform 1.14; + +boundaryField +{ + top + { + type zeroGradient; + } + + bottom + { + type zeroGradient; + } + + side-walls + { + type zeroGradient; + } + + inlet + { + type zeroGradient; + } + + outlet + { + type zeroGradient; + } +} + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/0/voidfraction b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/0/voidfraction new file mode 100644 index 00000000..3126fb49 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/0/voidfraction @@ -0,0 +1,51 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 1.6 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + location "0"; + object voidfraction; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [0 0 0 0 0 0 0]; + +internalField uniform 1; + +boundaryField +{ + top + { + type zeroGradient; + } + + bottom + { + type zeroGradient; + } + + side-walls + { + type zeroGradient; + } + + inlet + { + type fixedValue; + value $internalField; + } + + outlet + { + type zeroGradient; + } +} + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/constant/chemistryProperties b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/constant/chemistryProperties new file mode 100644 index 00000000..f95868bd --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/constant/chemistryProperties @@ -0,0 +1,42 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + location "constant"; + object chemistryProperties; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +chemistry off; //on; + +/* +chemistryType +{ + chemistrySolver ode; + chemistryThermo rho; +} + +initialChemicalTimeStep 1e-07; + +EulerImplicitCoeffs +{ + cTauChem 0.05; + equilibriumRateLimiter off; +} + +odeCoeffs +{ + solver seulex; + eps 0.05; +} */ + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/constant/combustionProperties b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/constant/combustionProperties new file mode 100644 index 00000000..487421c2 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/constant/combustionProperties @@ -0,0 +1,34 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + location "constant"; + object combustionProperties; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +combustionModel noCombustion; //PaSR; //PaSR; + +active false; //true; + +noCombustionCoeffs +{ +} + + +PaSRCoeffs +{ + Cmix 1.0; + turbulentReaction off; +} + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/constant/couplingProperties b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/constant/couplingProperties new file mode 100644 index 00000000..45272076 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/constant/couplingProperties @@ -0,0 +1,357 @@ +/*---------------------------------------------------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 1.4 | +| \\ / A nd | Web: http://www.openfoam.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ + + +FoamFile +{ + version 2.0; + format ascii; + + root ""; + case ""; + instance ""; + local ""; + + class dictionary; + object couplingProperties; +} + +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +//===========================================================================// +// sub-models & settings + +modelType "A"; // A or B + +couplingInterval 50; + +voidFractionModel divided;//centre;// + +locateModel engine; //turboEngineM2M;// + +meshMotionModel noMeshMotion; + +regionModel allRegion; + +IOModel basicIO; + +probeModel off; + +dataExchangeModel twoWayMPI;//twoWayM2M;//twoWayFiles;//oneWayVTK;// + +averagingModel dilute; //dense;//// + +clockModel off;//standardClock;//off; + +smoothingModel off;// localPSizeDiffSmoothing;// constDiffSmoothing; // + +forceModels +( + GidaspowDrag + gradPForce + viscForce +); + +energyModels +( + heatTransferGunn + //reactionHeat +); + +thermCondModel SyamlalThermCond; + +chemistryModels +( + species + diffusionCoefficients + massTransferCoeff + // off +); + +momCoupleModels +( + implicitCouple +); + +turbulenceModelType "turbulenceProperties";//"LESProperties";// + +//===========================================================================// +// sub-model properties +reactionHeatProps +{ + reactionHeatName "reactionHeat"; + verbose false; +} + +heatTransferGunnProps +{ + partTempName "Temp"; + partHeatFluxName "convectiveHeatFlux"; + calcPartTempField true; + partRefTemp 1223.15; + implicit true; + verbose false; + interpolation false; +} + +speciesProps +{ + ChemistryFile "$casePath/CFD/constant/foam.inp"; + Nevery 1; + verbose false; + interpolation false; +} + +diffusionCoefficientsProps +{ + verbose false; + interpolation false; + ChemistryFile "$casePath/CFD/constant/foam.inp"; + diffusantGasNames ( CO + ); +} + +massTransferCoeffProps +{ + verbose false; + interpolation false; +} + +reactantPerParticleProps +{ +} + + +SyamlalThermCondProps +{ + voidfractionFieldName "voidfraction"; + rhoFieldName "rho"; +} + +LaEuScalarTempProps +{ + velFieldName "U"; + tempFieldName "T"; + voidfractionFieldName "voidfraction"; + partTempName "Temp"; + partHeatFluxName "convectiveHeatFlux"; + lambda 0.0256; + Cp 1007; +} + +localPSizeDiffSmoothingProps +{ + lowerLimit 0.1; + upperLimit 1e10; + dSmoothingLength 1.5e-3; + Csmoothing 1.0; +} + +constDiffSmoothingProps +{ + lowerLimit 0.1; + upperLimit 1e10; + smoothingLength 1.5e-3; +} + +implicitCoupleProps +{ + velFieldName "U"; + granVelFieldName "Us"; + voidfractionFieldName "voidfraction"; +} + +ArchimedesProps +{ + gravityFieldName "g"; +} + +gradPForceProps +{ + pFieldName "p"; + voidfractionFieldName "voidfraction"; + velocityFieldName "U"; + interpolation true; +} + +viscForceProps +{ + velocityFieldName "U"; + interpolation true; +} + +volWeightedAverageProps +{ + scalarFieldNames + ( + voidfraction + ); + vectorFieldNames + ( + ); + upperThreshold 0.999; + lowerThreshold 0; + verbose true; +} + +totalMomentumExchangeProps +{ + implicitMomExFieldName "Ksl"; + explicitMomExFieldName "none"; + fluidVelFieldName "U"; + granVelFieldName "Us"; +} + +GidaspowDragProps +{ + verbose true; + velFieldName "U"; + granVelFieldName "Us"; + voidfractionFieldName "voidfraction"; + interpolation true; //interpolation is on + phi 1; + //implForceDEM true; + //implForceDEMaccumulated true; + //explicitCorr true; +} + +BeetstraDragProps +{ + velFieldName "U"; + granVelFieldName "Us"; + gravityFieldName "g"; + voidfractionFieldName "voidfraction"; + interpolation false; + useFilteredDragModel ; + useParcelSizeDependentFilteredDrag ; + rhoP 4630.; + dPrim 0.00022; + rho 1.58; + nuf 1.126e-05; + g 9.81; + k 0.05; + aLimit 0.0; + verbose false; +} + +DEMbasedDragProps +{ + velFieldName "U"; + voidfractionFieldName "voidfraction"; +} + +DiFeliceDragProps +{ + //verbose true; + velFieldName "U"; + voidfractionFieldName "voidfraction"; + granVelFieldName "Us"; + interpolation false; +} + +KochHillDragProps +{ + verbose true; + velFieldName "U"; + voidfractionFieldName "voidfraction"; + interpolation false; + //forceSubModels + //( + // ImExCorr + //); + implForceDEM true; + //implForceDEMaccumulated true; + //explicitCorr true; +} + +RongDragProps +{ + verbose true; + velFieldName "U"; + voidfractionFieldName "voidfraction"; + interpolation false; + implForceDEM true; + implForceDEMaccumulated true; + granVelFieldName "Us"; +} + +virtualMassForceProps +{ + velFieldName "U"; +} + +particleCellVolumeProps +{ + upperThreshold 0.999; + lowerThreshold 0.; + verbose true; +} + +fieldStoreProps +{ + scalarFieldNames + ( + ); + + vectorFieldNames + ( + "U" + ); +} + +oneWayVTKProps +{ + couplingFilename "vtk_out%4.4d.vtk"; + maxNumberOfParticles 30000; +} + +twoWayFilesProps +{ + maxNumberOfParticles 10100; +} + +centreProps +{ + alphaMin 0.1; +} + +engineProps +{ + treeSearch true; +} + +turboEngineProps +{ + treeSearch true; +} + +turboEngineM2MProps +{ + turboEngineProps + { + treeSearch true; + } +} + +dividedProps +{ + alphaMin 0.01; + scaleUpVol 1.0; +} + +twoWayMPIProps +{ + liggghtsPath "../DEM/in.liggghts_run"; +} + +twoWayM2MProps +{ + maxNumberOfParticles 10100; + liggghtsPath "../DEM/in.liggghts_run"; +} +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/constant/foam.dat b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/constant/foam.dat new file mode 100644 index 00000000..5191ec94 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/constant/foam.dat @@ -0,0 +1,111 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + location "constant"; + object foam.dat; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // +H2 +{ + specie + { + nMoles 1; + molWeight 2.02; + } + thermodynamics + { + Cp 15016.8; + Hf 2.544e+06; + } + transport + { + mu 8.42e-05; + Pr 0.76; + } +} +H2O +{ + specie + { + nMoles 1; + molWeight 18.015; + } + thermodynamics + { + Cp 2304.1; + Hf 2.544e+06; + } + transport + { + mu 1.7e-05; + Pr 0.99; + } +} + +CO +{ + specie + { + nMoles 1; + molWeight 28.01; + } + thermodynamics + { + Cp 1189.14; + Hf 2.544e+06; + } + transport + { + mu 1.66e-05; + Pr 0.792; + } +} + +CO2 +{ + specie + { + nMoles 1; + molWeight 44.01; + } + thermodynamics + { + Cp 1239.98; + Hf 2.544e+06; + } + transport + { + mu 1.37e-05; + Pr 0.69; + } +} + +N2 +{ + specie + { + nMoles 1; + molWeight 28.0134; + } + thermodynamics + { + Cp 1171.6; + Hf 2.544e+06; + } + transport + { + mu 1.66e-05; + Pr 0.69; + } +} + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/constant/foam.inp b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/constant/foam.inp new file mode 100644 index 00000000..47f83881 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/constant/foam.inp @@ -0,0 +1,12 @@ +species +( + CO + CO2 + N2 +); + +reactions +{ +} + + diff --git a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/constant/g b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/constant/g new file mode 100644 index 00000000..abca4e14 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/constant/g @@ -0,0 +1,22 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class uniformDimensionedVectorField; + location "constant"; + object g; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [0 1 -2 0 0 0 0]; +value ( 0 -9.81 0 ); + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/constant/liggghtsCommands b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/constant/liggghtsCommands new file mode 100644 index 00000000..ea16dec7 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/constant/liggghtsCommands @@ -0,0 +1,43 @@ +/*---------------------------------------------------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 1.4 | +| \\ / A nd | Web: http://www.openfoam.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ + + +FoamFile +{ + version 2.0; + format ascii; + + root ""; + case ""; + instance ""; + local ""; + + class dictionary; + object liggghtsCommands; +} + +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +liggghtsCommandModels +( + runLiggghts + writeLiggghts +); +// ************************************************************************* // + +/*runLiggghtsProps +{ + preNo false; +}*/ + +writeLiggghtsProps +{ + writeLast on; + writeName "post/restart/liggghts.restartCFDEM"; + overwrite on; +} diff --git a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/constant/polyMesh/.blockMeshDict.swp b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/constant/polyMesh/.blockMeshDict.swp new file mode 100644 index 0000000000000000000000000000000000000000..c91a9d3065beaa1787e5d817dab0093083017671 GIT binary patch literal 1024 zcmeH@!3x4K42E~}HN49jnLdG=-UdVQJi0F0vbHI0C-d!f>@tMCfGmgb^XDTZf3vsT z(l%p9mL;>=?2@EYmJ2mA7v#jHEru?VTY$bcNHPc$4f&-wms1ziJFV<9H9SQ0X~qt0 zfY?X!it7O4(W1GLexbigs+4gWbBP8j?xPYKYh~*b4dXTtWJBaOf+PJdF-T}MiEdPd S5^?#ub+RV#_X*s8Kl}ik6Ffcu literal 0 HcmV?d00001 diff --git a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/constant/polyMesh/blockMeshDict b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/constant/polyMesh/blockMeshDict new file mode 100644 index 00000000..024f6e99 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/constant/polyMesh/blockMeshDict @@ -0,0 +1,91 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + location "constant/polyMesh"; + object blockMeshDict; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +convertToMeters 1.0; + +vertices +( + (0 0 0) + (1.5 0 0) + (1.5 0.5 0) + (0 0.5 0) + (0 0 0.5) + (1.5 0 0.5) + (1.5 0.5 0.5) + (0 0.5 0.5) +); + +blocks +( + hex (0 1 2 3 4 5 6 7)(29 9 9) simpleGrading (1 1 1) + +); + +edges +( +); + +boundary +( + top + { + type wall; + faces + ( + (3 7 6 2) + ); + } + bottom + { + type wall; + faces + ( + (1 5 4 0) + ); + } + side-walls + { + type wall; + faces + ( + (0 3 2 1) + (4 5 6 7) + ); + } + inlet + { + type patch; + faces + ( + (0 4 7 3) + ); + } + outlet + { + type patch; + faces + ( + (2 6 5 1) + ); + } +); + +mergePatchPairs +( +); + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/constant/polyMesh/cylinderMesh.m4 b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/constant/polyMesh/cylinderMesh.m4 new file mode 100644 index 00000000..6df74167 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/constant/polyMesh/cylinderMesh.m4 @@ -0,0 +1,153 @@ +// blockMesh : Block mesh description file +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + location "constant/polyMesh"; + object blockMeshDict; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // +changecom(//)changequote([,]) +define(calc, [esyscmd(perl -e 'printf ($1)')]) +define(VCOUNT, 0) +define(vlabel, [[// ]Vertex $1 = VCOUNT define($1, VCOUNT)define([VCOUNT], incr(VCOUNT))]) + + + meshGenApp blockMesh; + convertToMeters 1; + + define(D, 0.075) //75 mm column diameter + define(L, 0.15) //150 mm length + define(PI, 3.14159265) + + define(R, calc(D/2)) + define(CW, calc(D/4)) //Width of middle square section + + define(CX, calc(R*cos((PI/180)*45))) + define(CZ, calc(R*sin((PI/180)*45))) + + define(NPS, 4) //how many cells in the square section + define(NPD, 2) //how many cells from square section to perimeter + define(NPY, 15) // how many cells from top to bottom + + vertices + ( + ( CW 0.0 CW) vlabel(fiveoclocksqb) + (-CW 0.0 CW) vlabel(sevenoclocksqb) + (-CW 0.0 -CW) vlabel(elevenoclocksqb) + ( CW 0.0 -CW) vlabel(oneoclocksqb) + + ( CX 0.0 CZ) vlabel(fiveoclockcb) + (-CX 0.0 CZ) vlabel(sevenoclockcb) + (-CX 0.0 -CZ) vlabel(elevenoclockcb) + ( CX 0.0 -CZ) vlabel(oneoclockcb) + + ( CW L CW) vlabel(fiveoclocksqt) + (-CW L CW) vlabel(sevenoclocksqt) + (-CW L -CW) vlabel(elevenoclocksqt) + ( CW L -CW) vlabel(oneoclocksqt) + + ( CX L CZ) vlabel(fiveoclockct) + (-CX L CZ) vlabel(sevenoclockct) + (-CX L -CZ) vlabel(elevenoclockct) + ( CX L -CZ) vlabel(oneoclockct) + ); + + blocks + ( + //square block + hex ( + sevenoclocksqb fiveoclocksqb oneoclocksqb elevenoclocksqb + sevenoclocksqt fiveoclocksqt oneoclocksqt elevenoclocksqt + ) + (NPS NPS NPY) + simpleGrading (1 1 1) + + //slice1 + hex ( + sevenoclockcb fiveoclockcb fiveoclocksqb sevenoclocksqb + sevenoclockct fiveoclockct fiveoclocksqt sevenoclocksqt + ) + (NPS NPD NPY) + simpleGrading (1 1 1) + + //slice2 + hex ( + sevenoclocksqb elevenoclocksqb elevenoclockcb sevenoclockcb + sevenoclocksqt elevenoclocksqt elevenoclockct sevenoclockct + ) + (NPS NPD NPY) +simpleGrading (1 1 1) + + //slice3 + hex ( + elevenoclocksqb oneoclocksqb oneoclockcb elevenoclockcb + elevenoclocksqt oneoclocksqt oneoclockct elevenoclockct + ) + (NPS NPD NPY) +simpleGrading (1 1 1) + + //slice4 + hex ( + oneoclocksqb fiveoclocksqb fiveoclockcb oneoclockcb + oneoclocksqt fiveoclocksqt fiveoclockct oneoclockct + ) + (NPS NPD NPY) +simpleGrading (1 1 1) + + ); + + + //create the quarter circles + edges + ( + arc fiveoclockcb sevenoclockcb (0.0 0.0 R) + arc sevenoclockcb elevenoclockcb (-R 0.0 0.0) + arc elevenoclockcb oneoclockcb (0.0 0.0 -R) + arc oneoclockcb fiveoclockcb (R 0.0 0.0) + + arc fiveoclockct sevenoclockct (0.0 L R) + arc sevenoclockct elevenoclockct (-R L 0.0) + arc elevenoclockct oneoclockct (0.0 L -R) + arc oneoclockct fiveoclockct (R L 0.0) + + ); + + patches + ( + patch inlet + ( + (fiveoclocksqb oneoclocksqb elevenoclocksqb sevenoclocksqb) + (fiveoclocksqb fiveoclockcb oneoclockcb oneoclocksqb) + (fiveoclockcb fiveoclocksqb sevenoclocksqb sevenoclockcb) + (sevenoclocksqb elevenoclocksqb elevenoclockcb sevenoclockcb) + (oneoclocksqb oneoclockcb elevenoclockcb elevenoclocksqb) + ) + + patch outlet + ( + (fiveoclocksqt oneoclocksqt elevenoclocksqt sevenoclocksqt) + (fiveoclocksqt fiveoclockct oneoclockct oneoclocksqt) + (fiveoclockct fiveoclocksqt sevenoclocksqt sevenoclockct) + (sevenoclocksqt elevenoclocksqt elevenoclockct sevenoclockct) + (oneoclocksqt oneoclockct elevenoclockct elevenoclocksqt) + ) + + wall wall + ( + (sevenoclockcb fiveoclockcb fiveoclockct sevenoclockct) + (sevenoclockcb sevenoclockct elevenoclockct elevenoclockcb) + (elevenoclockcb elevenoclockct oneoclockct oneoclockcb) + (oneoclockcb oneoclockct fiveoclockct fiveoclockcb) + ) + +); + diff --git a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/constant/thermophysicalProperties b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/constant/thermophysicalProperties new file mode 100644 index 00000000..7f498e00 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/constant/thermophysicalProperties @@ -0,0 +1,37 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + location "constant"; + object thermophysicalProperties; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +thermoType +{ + type heRhoThermo; //hePsiThermo; // + mixture reactingMixture; //species and reactions are listed in chemistry file + transport const; //sutherland; //calcualtes viscosity as a function of temperature from Stuherland coefficient As and Ts + thermo hConst; //janaf; + equationOfState perfectGas; + energy sensibleInternalEnergy; //sensibleEnthalpy; //uses enthaly in the solution + specie specie; +} + +chemistryReader foamChemistryReader; + +foamChemistryThermoFile "$casePath/CFD/constant/foam.dat"; + +foamChemistryFile "$casePath/CFD/constant/foam.inp"; + +inertSpecie N2; + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/constant/transportProperties b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/constant/transportProperties new file mode 100644 index 00000000..0209a87c --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/constant/transportProperties @@ -0,0 +1,47 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 1.6 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + location "constant"; + object transportProperties; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +transportModel Newtonian; + +nu nu [ 0 2 -1 0 0 0 0 ] 1.526e-05; // dnyamic viscosity of CO : 1.74*10^-5 [kg/ms] -- density: 1.14 kg/m3 + // dynamic viscosity of O2 = 2,04-10^-5[kg/ms]; + // density of O2 = 1.4290 [kg/m^3] + // kinematic viscosity of air (o2+n2) = 1.48e-05; + +kf kf [ 1 1 -3 -1 0 0 0 ] 0.0507; // comes from energy model + +Cp Cp [ 0 2 -2 -1 0 0 0 ] 1118.15; // comes from energy model + + +// ******* Non-Newtonian transport properties ************************ // +/*CrossPowerLawCoeffs +{ + nu0 nu0 [ 0 2 -1 0 0 0 0 ] 1e-06; + nuInf nuInf [ 0 2 -1 0 0 0 0 ] 1e-06; + m m [ 0 0 1 0 0 0 0 ] 1; + n n [ 0 0 0 0 0 0 0 ] 1; +} + +BirdCarreauCoeffs +{ + nu0 nu0 [ 0 2 -1 0 0 0 0 ] 1e-06; + nuInf nuInf [ 0 2 -1 0 0 0 0 ] 1e-06; + k k [ 0 0 1 0 0 0 0 ] 0; + n n [ 0 0 0 0 0 0 0 ] 1; +} +*/ +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/constant/turbulenceProperties b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/constant/turbulenceProperties new file mode 100644 index 00000000..d1156961 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/constant/turbulenceProperties @@ -0,0 +1,20 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + location "constant"; + object turbulenceProperties; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +simulationType laminar; + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/system/controlDict b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/system/controlDict new file mode 100644 index 00000000..49b4efa6 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/system/controlDict @@ -0,0 +1,145 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + location "system"; + object controlDict; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +application cfdemSolverRhoPimpleChem; + +startFrom startTime; + +startTime 0.0; + +stopAt endTime; + +endTime 1200.0; + +deltaT 1; + +writeControl timeStep; + +writeInterval 50; + +purgeWrite 10; + +writeFormat ascii; + +writePrecision 6; + +writeCompression off; + +timeFormat general; + +timePrecision 6; + +runTimeModifiable true; + +adjustTimeStep no; + +maxCo 0.5; + +maxDeltaT 0.1; + + +// ************************************************************************* // + libs ( + "libfieldFunctionObjects.so" + ); + +functions +{ + moleFrac + { + type rhoReactionThermoMoleFractions; + } + + probes1 + { + type probes; + functionObjectLibs ("libsampling.so"); + #include "probesDict"; + } + + + fieldMinMax_T + { + type fieldMinMax; + libs ("libfieldFunctionObjects.so"); + fields (T); + // Report the location of the field extrema + location yes; + // Type of extrema for rank > 0 primitives + mode magnitude; // magnitude | component + } + + fieldMinMax_Cpv + { + type fieldMinMax; + libs ("libfieldFunctionObjects.so"); + fields (Cpv); + // Report the location of the field extrema + location yes; + // Type of extrema for rank > 0 primitives + mode magnitude; // magnitude | component + } + + fieldMinMax_partTemp + { + type fieldMinMax; + libs ("libfieldFunctionObjects.so"); + fields (partTemp); + location yes; + mode magnitude; + } + + globalMassFrac + { + type volRegion; + libs ("libfieldFunctionObjects.so"); + writeControl timeStep;//outputTime; + writeInterval 1; + log true; + writeFields false; + regionType all; + name c0; + operation weightedVolAverage; + weightField rhoeps; + fields + ( + CO2 + CO + N2 + ); + } + + globalMass + { + type volRegion; + libs ("libfieldFunctionObjects.so"); + writeControl timeStep;//outputTime; + writeInterval 1; + log true; + writeFields false; + regionType all; + name c1; + operation volIntegrate; + fields + ( + rhoeps + rho + ); + } +} + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/system/decomposeParDict b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/system/decomposeParDict new file mode 100644 index 00000000..c5dcd7c4 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/system/decomposeParDict @@ -0,0 +1,46 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + location "system"; + object decomposeParDict; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +numberOfSubdomains 2; + +//method scotch; +method simple; + +simpleCoeffs +{ + n (2 1 1); + delta 0.001; +} + +hierarchicalCoeffs +{ + n ( 1 1 1 ); + delta 0.001; + order xyz; +} + +manualCoeffs +{ + dataFile ""; +} + +distributed no; + +roots ( ); + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/system/fvOptions b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/system/fvOptions new file mode 100644 index 00000000..9536c869 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/system/fvOptions @@ -0,0 +1,30 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + location "system"; + object fvOptions; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // +limitedTemperature +{ + type limitTemperature; + active yes; + limitTemperatureCoeffs + { + active yes; + selectionMode all; + Tmin 1200; + Tmax 2500; + } +} + + diff --git a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/system/fvSchemes b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/system/fvSchemes new file mode 100644 index 00000000..a819f794 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/system/fvSchemes @@ -0,0 +1,83 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + location "system"; + object fvSchemes; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +ddtSchemes +{ + default Euler; +} + +gradSchemes +{ + default Gauss linear; + grad(p) cellMDLimited leastSquares 0.5; + grad(U) cellMDLimited leastSquares 0.5; //cellLimited Gauss linear 1; // + grad(h) cellMDLimited leastSquares 0.5; + grad(e) cellMDLimited leastSquares 0.5; +} + +divSchemes +{ + default Gauss linear; + + div(phi,U) Gauss limitedLinear 1; //Gauss linear; //Gauss limitedLinear 1; // //Gauss limitedLinearV 1; // + div(phid,p) Gauss limitedLinear 1; //Gauss upwind; //Gauss limitedLinearV 1; + div(phi,K) Gauss limitedLinear 1; + div(phi,h) Gauss limitedLinear 1; //Gauss upwind; + div(phi,k) Gauss limitedLinear 1; //Gauss upwind; + div(phi,epsilon) Gauss limitedLinear 1; //Gauss upwind; + div(U) Gauss limitedLinear 1; + div(phi,Yi_h) Gauss multivariateSelection + { + CO limitedLinear01 1; + H2 limitedLinear01 1; + N2 limitedLinear01 1; + H2O limitedLinear01 1; + CO2 limitedLinear01 1; + h limitedLinear 1; + e limitedLinear 1; + } + // div((muEff*dev2(T(grad(U))))) Gauss linear; + div((viscousTerm*dev2(grad(U).T()))) Gauss linear; + div((thermo:mu*dev(grad(U).T()))) Gauss linear; + div((nuEff*dev2(T(grad(U))))) Gauss linear; + div(phi,T) Gauss limitedLinear 1; +} + +laplacianSchemes +{ + default Gauss linear corrected; //Gauss linear orthogonal; +} + +interpolationSchemes +{ + default linear; + interpolate(U) linear; +} + +snGradSchemes +{ + default corrected; //orthogonal; +} + +fluxRequired +{ + default no; + p ; +} + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/system/fvSolution b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/system/fvSolution new file mode 100644 index 00000000..9976d4cd --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/system/fvSolution @@ -0,0 +1,131 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + location "system"; + object fvSolution; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // +solvers +{ + p + { + solver PCG; + preconditioner DIC; + tolerance 1e-6; + relTol 0.01; + /*solver GAMG; + tolerance 1e-06; + relTol 0.01; + smoother GaussSeidel; + nPreSweeps 0; + nPostSweeps 2; + nFinestSweeps 2; + cacheAgglomeration on; + nCellsInCoarsestLevel 10; + agglomerator faceAreaPair; + mergeLevels 1; */ + } + + pFinal + { + $p; + tolerance 1e-06; + relTol 0; + } + + "(rho|G)" + { + solver PCG; + preconditioner DIC; + tolerance 1e-6; + relTol 0.01; + /*solver smoothSolver; + smoother symGaussSeidel; + tolerance 1e-6; + relTol 0.1; + nSweeps 3;*/ + } + + "(rho|G)Final" + { + $rho; + tolerance 1e-06; + relTol 0; + } + + "(U|h|e|R|k|epsilon)" + { + solver smoothSolver; + smoother symGaussSeidel; + tolerance 1e-05; + relTol 0.1; + } + + "(U|h|e|R|k|epsilon)Final" + { + $U; + tolerance 1e-05; + relTol 0; + } + + "(Yi|CO|CO2|H2|H2O|N2)" + { + solver smoothSolver; + smoother symGaussSeidel; + tolerance 1e-06; + relTol 0.01; + maxIter 100; + } + + "(Yi|CO|CO2|H2|H2O|N2)Final" + { + $Yi; + tolerance 1e-06; + relTol 0; + maxIter 100; + } + + T + { + solver PBiCG; + preconditioner DILU; + tolerance 1e-8; + relTol 0; + } +} + +PIMPLE +{ + momentumPredictor yes; + nOuterCorrectors 5; + nCorrectors 2; + nNonOrthogonalCorrectors 0; + rhoMin rhoMin [ 1 -3 0 0 0 ] 0.4; + rhoMax rhoMax [ 1 -3 0 0 0 ] 2.0; +} + +relaxationFactors +{ + fields + { + T 0.5; + "(Yi|CO|CO2|H2|H2O|N2)" 0.6; + p 0.6; + } + equations + { + ".*" 0.8; + "(h|e).*" 0.5; + } +} + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/system/probesDict b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/system/probesDict new file mode 100644 index 00000000..e206213e --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/system/probesDict @@ -0,0 +1,47 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \ / O peration | Version: 2.1.x | +| \ / A nd | Web: www.OpenFOAM.org | +| \/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + object probesDict; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + 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peratomtype 0.45 +fix m3 all property/global coefficientRestitution peratomtypepair 1 0.3 +fix m4 all property/global coefficientFriction peratomtypepair 1 0.5 + +# pair style +pair_style gran model hertz tangential history # Hertzian without cohesion +pair_coeff * * + +# timestep, gravity +timestep 1e-2 +fix gravi all gravity 0.0 vector 0.0 -1.0 0.0 + +# walls +fix xwalls1 all wall/gran model hertz tangential history primitive type 1 xplane 0.0 +fix xwalls2 all wall/gran model hertz tangential history primitive type 1 xplane 1.5 +fix ywalls1 all wall/gran model hertz tangential history primitive type 1 yplane 0.0 +fix ywalls2 all wall/gran model hertz tangential history primitive type 1 yplane 0.5 +fix zwalls1 all wall/gran model hertz tangential history primitive type 1 zplane 0.0 +fix zwalls2 all wall/gran model hertz tangential history primitive type 1 zplane 0.5 + +# create single particle in a specific spot +create_atoms 1 single 0.75 0.25 0.25 units box +set atom 1 diameter 0.01106028 density 4300 vx 0 vy 0 vz 0 + +# screen output +compute rke all erotate/sphere +thermo_style custom step atoms ke c_rke vol +thermo 1000 +thermo_modify lost ignore norm no +compute_modify thermo_temp dynamic yes + +# insert the first particles so that dump is not empty +run 1 +dump dmp all custom 100 post/dump.liggghts_init id type x y z vx vy vz fx fy fz radius mass + +run 10 upto +write_restart post/restart/liggghts.restart diff --git a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/DEM/in.liggghts_run b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/DEM/in.liggghts_run new file mode 100644 index 00000000..3d2a9fa0 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/DEM/in.liggghts_run @@ -0,0 +1,194 @@ +# Pour granular particles into chute container, then induce flow +log ../DEM/log.liggghts +thermo_log ../DEM/post/thermo.txt + +atom_style granular +atom_modify map array +communicate single vel yes + +boundary f f f +newton off + +units si +processors 2 1 1 + +# read the restart file +read_restart ../DEM/post/restart/liggghts.restart + +neighbor 0.0005 bin +neigh_modify delay 0 + +# Material properties required for granular pair styles + +fix m1 all property/global youngsModulus peratomtype 5.e6 +fix m2 all property/global poissonsRatio peratomtype 0.45 +fix m3 all property/global coefficientRestitution peratomtypepair 1 0.3 +fix m4 all property/global coefficientFriction peratomtypepair 1 0.5 + +# pair style +pair_style gran model hertz tangential history # Hertzian without cohesion +pair_coeff * * + +# timestep, gravity +timestep 0.02 +fix gravi all gravity 9.81 vector 0.0 -1.0 0.0 + +# walls +fix xwalls1 all wall/gran model hertz tangential history primitive type 1 xplane 0.0 +fix xwalls2 all wall/gran model hertz tangential history primitive type 1 xplane 1.5 +fix ywalls1 all wall/gran model hertz tangential history primitive type 1 yplane 0.0 +fix ywalls2 all wall/gran model hertz tangential history primitive type 1 yplane 0.5 +fix zwalls1 all wall/gran model hertz tangential history primitive type 1 zplane 0.0 +fix zwalls2 all wall/gran model hertz tangential history primitive type 1 zplane 0.5 + +# Thermal properties +fix ftco all property/global thermalConductivity peratomtype 1.4 +fix ftca all property/global thermalCapacity peratomtype 3000 + +############################################### + +# cfd coupling +fix cfd all couple/cfd couple_every 50 mpi +fix cfd2 all couple/cfd/force + +# this one invokes heat transfer calculation, transfers per-particle temperature and adds convective heat flux to particles +fix tconv all couple/cfd/convection T0 1221 + +# this should invoke chemistry +fix cfd3 all couple/cfd/chemistry n_species 3 species_names CO CO2 N2 n_diff 1 diffusant_names CO + +# Activate for 3-layer unreacted core shrink model +fix cfd5 all chem/shrink/core speciesA CO molMassA 0.02801 speciesC CO2 molMassC 0.04401 scale_reduction_rate 10.0 screen yes + +# Chemical properties for unreacted shrink core (activate only when chem/shrink/core is active) +fix k0_CO all property/atom k0_cfd5 vector yes no no 17 25 2700 +fix Ea_CO all property/atom Ea_cfd5 vector yes no no 74000 73674 113859 #69488 73674 113859 + +# particle porosity/tortuosity/pore diameter +fix porosity all property/atom porosity_ vector yes no no 0.65 0.31 0.16 0.15 +fix tortuosity all property/global tortuosity_ scalar 3 +fix pore_diameter all property/global pore_diameter_ scalar 1e-6 + +# define layer properties +fix LayerRelRadii all property/atom relRadii vector yes no no 1.0 0.998 0.995 0.98 + +### define fix for mass layer - initial testing +fix LayerMasses all property/atom massLayer vector yes no no 0. 0. 0. 0. + +fix LayerDennsities all property/global density_all vector 7870. 5740. 5170. 5240. + +## define fix for rho_eff and fracRed - initialize as zero +fix fracRed all property/atom fracRed_all vector yes no no 0. 0. 0. +fix rhoeff all property/atom rhoeff vector yes no no 0. 0. 0. 0. + +############### +# Write data into files for post-processing + +variable WI equal 10 +variable time equal time +variable m1 equal mass[1] +variable rp equal radius[1] +variable rho1 equal mass[1]/((4/3)*PI*radius[1]*radius[1]*radius[1]) +fix printmass all print ${WI} "${time} ${m1} ${rho1} ${rp}" file mass_rho_rad.txt title "#time mass rho rad_par" + +# compute kinetic energy of particles to see if they are moving changing +compute KinEn all ke +variable ke_tot equal c_KinEn + +# print total kinetic energy +fix printCompute all print ${WI} "${time} ${ke_tot}" file printKE.txt title "#time ke_tot" + +compute Ea_CO all reduce sum f_Ea_CO[1] f_Ea_CO[2] f_Ea_CO[3] +fix Ea all ave/time 1 1 1 c_Ea_CO[1] c_Ea_CO[2] c_Ea_CO[3] +variable Ea1 equal f_Ea[1] +variable Ea2 equal f_Ea[2] +variable Ea3 equal f_Ea[3] + +compute k0CO all reduce sum f_k0_CO[1] f_k0_CO[2] f_k0_CO[3] +fix k0 all ave/time 1 1 1 c_k0CO[1] c_k0CO[2] c_k0CO[3] +variable k01 equal f_k0[1] +variable k02 equal f_k0[2] +variable k03 equal f_k0[3] + +fix printk0Ea all print ${WI} "${time} ${Ea1} ${Ea2} ${Ea3} ${k01} ${k02} ${k03}" file k0Ea.dat title "#time Ea1 Ea2 Ea3 k01 k02 k03" + +############### +# Print out values affecting chemical reduction into specified folder for given time +# Diffusion Coefficient for CO and H2 + +compute COdiff all reduce sum f_CO_diffCoeff +fix diffField_CO all ave/time 1 1 1 c_COdiff +variable CO_diffCo equal f_diffField_CO + +fix printDCoeff all print ${WI} "${time} ${CO_diffCo}" file DiffCoeff.dat title "#time CO_diffCoeff" + +############### +# Specific Resistance terms depending on reacting gases + +compute ACOd1 all reduce sum f_Aterm_cfd5[1] f_Aterm_cfd5[2] f_Aterm_cfd5[3] +fix ACOd1 all ave/time 1 1 1 c_ACOd1[1] c_ACOd1[2] c_ACOd1[3] +variable a_CO_1 equal f_ACOd1[1] +variable a_CO_2 equal f_ACOd1[2] +variable a_CO_3 equal f_ACOd1[3] + +compute BCOd1 all reduce sum f_Bterm_cfd5[1] f_Bterm_cfd5[2] f_Bterm_cfd5[3] +fix BCOd1 all ave/time 10 1 10 c_BCOd1[1] c_BCOd1[2] c_BCOd1[3] +variable b_CO_1 equal f_BCOd1[1] +variable b_CO_2 equal f_BCOd1[2] +variable b_CO_3 equal f_BCOd1[3] + +compute MCOd1 all reduce sum f_Massterm_cfd5 +fix MTCOd1 all ave/time 10 1 10 c_MCOd1 +variable mt_CO equal f_MTCOd1 + +fix printAterm all print ${WI} "${time} ${a_CO_1} ${a_CO_2} ${a_CO_3}" file Aterm.dat title "#time a_CO_1 aCO_2 a_CO_3" + +fix printBterm all print ${WI} "${time} ${b_CO_1} ${b_CO_2} ${b_CO_3}" file Bterm.dat title "#time b_CO_1 b_CO_2 b_CO_3" + +fix printMassTerm all print ${WI} "${time} ${mt_CO}" file MassTerm.dat title "#time mt_CO" + +# Print out fractional reduction for specific diameter ranges as well as total fractional reduction + +############### + +compute fr_1 all reduce sum f_fracRed[1] f_fracRed[2] f_fracRed[3] +fix fr_d1 all ave/time 1 1 1 c_fr_1[1] c_fr_1[2] c_fr_1[3] +variable fr_d1_1 equal f_fr_d1[1] +variable fr_d1_2 equal f_fr_d1[2] +variable fr_d1_3 equal f_fr_d1[3] + +# Calculate total fractional reduction to be written into the dump file for postProcessing/graphical representation +variable frOV_d1 equal 1/9*(f_fr_d1[3])+2/9*(f_fr_d1[2])+6/9*(f_fr_d1[1]) + +fix printfr1 all print ${WI} "${time} ${fr_d1_1} ${fr_d1_2} ${fr_d1_3} ${frOV_d1}" file fr_d1.dat title "#time fr_d1_1 fr_d1_2 fr_d1_3 fr_overall_d1" + +############################################### +## Check Layer Radii and Write them to files ### +compute layerRad1 all reduce sum f_LayerRelRadii[1] +fix redRad1 all ave/time 1 1 1 c_layerRad1 +variable rr1 equal f_redRad1 + +compute layerRad2 all reduce sum f_LayerRelRadii[2] +fix redRad2 all ave/time 1 1 1 c_layerRad2 +variable rr2 equal f_redRad2 + +compute layerRad3 all reduce sum f_LayerRelRadii[3] +fix redRad3 all ave/time 1 1 1 c_layerRad3 +variable rr3 equal f_redRad3 + +compute layerRad4 all reduce sum f_LayerRelRadii[4] +fix redRad4 all ave/time 1 1 1 c_layerRad4 +variable rr4 equal f_redRad4 + +fix printRelRadii all print ${WI} "${time} ${rr1} ${rr2} ${rr3} ${rr4}" file relRadii.dat title "#time relRad_1 relRad_2 relRad_3 relRad_4" +############### + +# screen output +compute rke all erotate/sphere +thermo_style custom step atoms ke c_rke vol +thermo 10 +thermo_modify lost ignore norm no +compute_modify thermo_temp dynamic yes + +dump dmp all custom 100 ../DEM/post/dump*.liggghts_run id type x y z vx vy vz fx fy fz radius mass f_fracRed[1] f_fracRed[2] f_fracRed[3] +run 1 diff --git a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/README b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/README new file mode 100644 index 00000000..6db9fda8 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/README @@ -0,0 +1,6 @@ +Keq W-> Fe + Keq_ = exp(2744.63/T-2.946); + M-> W + Keq_ = exp(-3585.64/T+4.58); + H-> M + Keq_ = exp(3968.37/T+3.94); diff --git a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/parCFDDEMrun.sh b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/parCFDDEMrun.sh new file mode 100644 index 00000000..ec6c115f --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/parCFDDEMrun.sh @@ -0,0 +1,96 @@ +#!/bin/bash + +#===================================================================# +# allrun script for testcase as part of test routine +# run settlingTest CFD part +# Christoph Goniva - Feb. 2011 +#===================================================================# + +#- source CFDEM env vars +. ~/.bashrc + +#- include functions +source $CFDEM_PROJECT_DIR/etc/functions.sh + +#--------------------------------------------------------------------------------# +#- define variables +casePath="$(dirname "$(readlink -f ${BASH_SOURCE[0]})")" +logpath=$casePath +headerText="ISO4695" +logfileName="log_$headerText" +solverName="cfdemSolverRhoPimpleChem" +nrProcs="2" +machineFileName="none" # yourMachinefileName | none +debugMode="off" # on | off| strict +testHarnessPath="$CFDEM_TEST_HARNESS_PATH" +runOctave="false" +postproc="false" + +#--------------------------------------------------------------------------------# + +#- call function to run a parallel CFD-DEM case +parCFDDEMrun $logpath $logfileName $casePath $headerText $solverName $nrProcs $machineFileName $debugMode + + +if [ $runOctave == "true" ] + then + #------------------------------# + # octave + + #- change path + cd octave + + #- rmove old graph + rm cfdemSolverPiso_ErgunTestMPI.eps + + #- run octave + octave totalPressureDrop.m + + #- show plot + evince cfdemSolverPiso_ErgunTestMPI.eps + + #- copy log file to test harness + cp ../../$logfileName $testHarnessPath + cp cfdemSolverPiso_ErgunTestMPI.eps $testHarnessPath +fi + +if [ $postproc == "true" ] + then + + #- keep terminal open (if started in new terminal) + echo "simulation finished? ...press enter to proceed" + read + + #- get VTK data from liggghts dump file + cd $casePath/DEM/post + python -i $CFDEM_LPP_DIR/lpp.py dump*.liggghts_run + + #- get VTK data from CFD sim + cd $casePath/CFD + reconstructPar + foamToVTK #- serial run of foamToVTK + #source $CFDEM_SRC_DIR/lagrangian/cfdemParticle/etc/functions.sh #- include functions + #pseudoParallelRun "foamToVTK" $nrPostProcProcessors #- pseudo parallel run of foamToVTK + + #- start paraview + paraview + + #- keep terminal open (if started in new terminal) + echo "...press enter to clean up case" + echo "press Ctr+C to keep data" + read + +fi + +#- clean up case +#echo "deleting data at: $casePath :\n" +#source $WM_PROJECT_DIR/bin/tools/CleanFunctions +#cd $casePath/CFD +#cleanCase +#rm -r $casePath/CFD/clockData +#rm $casePath/DEM/post/*.* +#touch $casePath/DEM/post/.gitignore +#rm $casePath/DEM/post/restart/*.* +#rm $casePath/DEM/post/restart/liggghts.restartCFDEM* +#touch $casePath/DEM/post/restart/.gitignore +#echo "done" diff --git a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/parDEMrun.sh b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/parDEMrun.sh new file mode 100755 index 00000000..3b9653f8 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/parDEMrun.sh @@ -0,0 +1,30 @@ +#!/bin/bash + +#===================================================================# +# DEMrun script for ErgunTestMPI testcase +# init ErgunTestMPI +# Christoph Goniva - July 2014 +#===================================================================# + +#- source CFDEM env vars +. ~/.bashrc + +#- include functions +source $CFDEM_PROJECT_DIR/etc/functions.sh + +echo "starting DEM run in parallel..." +#--------------------------------------------------------------------------------# +#- define variables +casePath="$(dirname "$(readlink -f ${BASH_SOURCE[0]})")" +logpath="$casePath" +headerText="run_liggghts_init_DEM" +logfileName="log_$headerText" +solverName="in.liggghts_init" +nrProcs=2 +machineFileName="none" +debugMode="off" +#--------------------------------------------------------------------------------# + +#- call function to run DEM case +parDEMrun $logpath $logfileName $casePath $headerText $solverName $nrProcs $machineFileName $debugMode + diff --git a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/postrun.sh b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/postrun.sh new file mode 100755 index 00000000..06624406 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/postrun.sh @@ -0,0 +1,19 @@ +#!/bin/bash +#- source CFDEM env vars +. ~/.bashrc + +#- include functions +source $CFDEM_PROJECT_DIR/etc/functions.sh + +casePath="$(dirname "$(readlink -f ${BASH_SOURCE[0]})")" + +#- get VTK data from liggghts dump file +cd $casePath/DEM/post +python -i $CFDEM_LPP_DIR/lpp.py dump*.liggghts_run + +#- get VTK data from CFD sim +cd $casePath/CFD +reconstructPar +foamToVTK + + diff --git a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/prerun.sh b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/prerun.sh new file mode 100755 index 00000000..7b370ae7 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/prerun.sh @@ -0,0 +1,13 @@ +#!/bin/bash + +#- define variables +casePath="$(dirname "$(readlink -f ${BASH_SOURCE[0]})")" + +# check if mesh was built +if [ -f "$casePath/CFD/constant/polyMesh/boundary" ]; then + echo "mesh was built before - using old mesh" +else + echo "mesh needs to be built" + cd $casePath/CFD + blockMesh +fi \ No newline at end of file diff --git a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/run.config b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/run.config new file mode 100644 index 00000000..9091b486 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/run.config @@ -0,0 +1,19 @@ +{ + "type" : "CFDEMcoupling", + "runs" : [ + { + "name" : "liggghts-init", + "input_script" : "DEM/in.liggghts_init", + "type" : "liggghts/serial" + }, + { + "name" : "cfdemrun", + "depends_on" : "liggghts-init", + "solver" : "cfdemSolverPiso", + "type" : "CFDEMcoupling/mpi", + "nprocs" : 2, + "pre_scripts" : ["prerun.sh"], + "post_scripts" : ["postrun.sh"] + } + ] +} diff --git a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/runLiseScript b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/runLiseScript new file mode 100644 index 00000000..06278633 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/runLiseScript @@ -0,0 +1,19 @@ +#!/bin/bash +#PBS -o fb.out +#PBS -V +#PBS -k oe +#PBS -j oe +#PBS -l nodes=1:ppn=4 +#PBS -l walltime=24:00:00 +#PBS -m ae +#PBS -M mustafa_efe.kinaci@jku.at + +source ~/.bashrc +source /apps/openfoam-4.0/OpenFOAM-4.x-version-4.0/etc/bashrc +source $HOME/CFDEM/CFDEMcoupling/etc/bashrc +module add icc gcc + +caseDir=$HOME/CFDEM/CFDEMcoupling/tutorials/cfdemSolverRhoPimpleChem/ISO4695 +cd $caseDir + +./Allrun.sh From f80785c1167261cf83314d9da8f683ac5c6bf6a5 Mon Sep 17 00:00:00 2001 From: ekinaci Date: Wed, 18 Sep 2019 16:35:24 +0200 Subject: [PATCH 59/92] Remove ISO4695 case from tutorials to be added under subfolder SingleParticleCases --- .../cfdemSolverRhoPimpleChem/ISO4695/Allclean | 35 -- .../ISO4695/Allrun.sh | 50 --- .../cfdemSolverRhoPimpleChem/ISO4695/CFD/0/CO | 52 --- .../ISO4695/CFD/0/CO2 | 51 --- .../ISO4695/CFD/0/Ksl | 51 --- .../cfdemSolverRhoPimpleChem/ISO4695/CFD/0/N2 | 52 --- .../ISO4695/CFD/0/Qsource | 51 --- .../cfdemSolverRhoPimpleChem/ISO4695/CFD/0/T | 52 --- .../cfdemSolverRhoPimpleChem/ISO4695/CFD/0/U | 49 --- .../cfdemSolverRhoPimpleChem/ISO4695/CFD/0/Us | 48 --- .../ISO4695/CFD/0/alphat | 47 --- .../ISO4695/CFD/0/epsilon | 53 --- .../cfdemSolverRhoPimpleChem/ISO4695/CFD/0/k | 47 --- .../ISO4695/CFD/0/mut | 48 --- .../ISO4695/CFD/0/nut | 51 --- .../cfdemSolverRhoPimpleChem/ISO4695/CFD/0/p | 49 --- .../ISO4695/CFD/0/p.org | 52 --- .../ISO4695/CFD/0/rho | 50 --- .../ISO4695/CFD/0/voidfraction | 51 --- .../ISO4695/CFD/constant/chemistryProperties | 42 --- .../ISO4695/CFD/constant/combustionProperties | 34 -- .../ISO4695/CFD/constant/couplingProperties | 357 ------------------ .../ISO4695/CFD/constant/foam.dat | 111 ------ .../ISO4695/CFD/constant/foam.inp | 12 - .../ISO4695/CFD/constant/g | 22 -- .../ISO4695/CFD/constant/liggghtsCommands | 43 --- .../CFD/constant/polyMesh/.blockMeshDict.swp | Bin 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b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/Allclean deleted file mode 100644 index a27b0fac..00000000 --- a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/Allclean +++ /dev/null @@ -1,35 +0,0 @@ -#!/bin/sh -#cd ${0%/*} || exit 1 # run from this directory - -# Source tutorial run functions -. $WM_PROJECT_DIR/bin/tools/CleanFunctions -source $CFDEM_PROJECT_DIR/etc/functions.sh - -#- define variables -casePath="$(dirname "$(readlink -f ${BASH_SOURCE[0]})")" -cd $casePath/CFD -cleanCase -# rm $casePath/CFD/rmass*.dat -#rm $casePath/CFD/*.dat -#rm $casePath/CFD/*.txt -rm $casePath/log* -#rm $casePath/run_error.log -#cp -R 0/Org/p 0/p -#cp -R 0/Org/U 0/U -#cp -R 0/Org/Us 0/Us -#cp -R 0/Org/phiIB 0/phiIB -#cp -R 0/Org/voidfraction 0/voidfraction - -rm -R $casePath/DEM/post -mkdir $casePath/DEM/post -mkdir $casePath/DEM/post/restart -#cd $casePath/DEM/post/restart -#touch liggghts.restart - -## if postproc is activated (in fix_chem_shrink) -#rm $casePath/changeOfCO2 -#rm $casePath/changeOfO2 -#rm $casePath/rhogas_ -#rm $casePath/pmass_ - -# ----------------------------------------------------------------- end-of-file diff --git a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/Allrun.sh b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/Allrun.sh deleted file mode 100755 index 5c5cfbbc..00000000 --- a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/Allrun.sh +++ /dev/null @@ -1,50 +0,0 @@ -#!/bin/bash - -#===================================================================# -# allrun script for testcase as part of test routine -# run settlingTest -# Christoph Goniva - Sept. 2010 -#===================================================================# - -#- source CFDEM env vars -. ~/.bashrc - -#- include functions -source $CFDEM_PROJECT_DIR/etc/functions.sh - -#- define variables -casePath="$(dirname "$(readlink -f ${BASH_SOURCE[0]})")" -export casePath - -#cd $casePath/CFD -#blockMesh - -#$casePath/parDEMrun.sh - -#bash $casePath/parCFDDEMrun.sh - -export casePath -# check if mesh was built -if [ -f "$casePath/CFD/constant/polyMesh/points" ]; then - echo "mesh was built before - using old mesh" -else - echo "mesh needs to be built" - cd $casePath/CFD - blockMesh -fi - -if [ -f "$casePath/DEM/post/restart/liggghts.restart" ]; then - echo "LIGGGHTS init was run before - using existing restart file" -else - #- run DEM in new terminal - $casePath/parDEMrun.sh -fi - -#echo "Run Simulation" -#cd $casePath/CFD -#decomposePar -#mpirun -np $nrProcs $solverName -parallel | tee -a $logfileName - -#- run parallel CFD-DEM in new terminal -#gnome-terminal -e "bash $casePath/parCFDDEMrun.sh" -bash $casePath/parCFDDEMrun.sh diff --git a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/0/CO b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/0/CO deleted file mode 100644 index b971c1ce..00000000 --- a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/0/CO +++ /dev/null @@ -1,52 +0,0 @@ -/*--------------------------------*- C++ -*----------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 2.3.0 | -| \\ / A nd | Web: www.OpenFOAM.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ -FoamFile -{ - version 2.0; - format ascii; - class volScalarField; - location "0"; - object CO; -} -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -dimensions [0 0 0 0 0 0 0]; - -internalField uniform 0.4; - -boundaryField -{ - top - { - type zeroGradient; - } - - bottom - { - type zeroGradient; - } - - side-walls - { - type zeroGradient; - } - - inlet - { - type fixedValue; - value uniform 0.4; - } - - outlet - { - type zeroGradient; - } -} - - -// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/0/CO2 b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/0/CO2 deleted file mode 100644 index 4ad6de47..00000000 --- a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/0/CO2 +++ /dev/null @@ -1,51 +0,0 @@ -/*--------------------------------*- C++ -*----------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 2.3.0 | -| \\ / A nd | Web: www.OpenFOAM.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ -FoamFile -{ - version 2.0; - format ascii; - class volScalarField; - location "0"; - object CO2; -} -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -dimensions [0 0 0 0 0 0 0]; - -internalField uniform 0.0; - -boundaryField -{ - top - { - type zeroGradient; - } - - bottom - { - type zeroGradient; - } - - side-walls - { - type zeroGradient; - } - - inlet - { - type zeroGradient; - } - - outlet - { - type zeroGradient; - } -} - - -// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/0/Ksl b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/0/Ksl deleted file mode 100644 index bc087769..00000000 --- a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/0/Ksl +++ /dev/null @@ -1,51 +0,0 @@ -/*--------------------------------*- C++ -*----------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.6 | -| \\ / A nd | Web: www.OpenFOAM.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ -FoamFile -{ - version 2.0; - format ascii; - class volScalarField; - location "0"; - object Ksl; -} -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -dimensions [1 -3 -1 0 0 0 0]; - -internalField uniform 0.0; - -boundaryField -{ - top - { - type zeroGradient; - } - - bottom - { - type zeroGradient; - } - - side-walls - { - type zeroGradient; - } - - inlet - { - type zeroGradient; - } - - outlet - { - type zeroGradient; - } -} - - -// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/0/N2 b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/0/N2 deleted file mode 100644 index ed7c9acc..00000000 --- a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/0/N2 +++ /dev/null @@ -1,52 +0,0 @@ -/*--------------------------------*- C++ -*----------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 2.3.0 | -| \\ / A nd | Web: www.OpenFOAM.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ -FoamFile -{ - version 2.0; - format ascii; - class volScalarField; - location "0"; - object N2; -} -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -dimensions [0 0 0 0 0 0 0]; - -internalField uniform 0.6; - -boundaryField -{ - top - { - type zeroGradient; - } - - bottom - { - type zeroGradient; - } - - side-walls - { - type zeroGradient; - } - - inlet - { - type fixedValue; - value uniform 0.6; - } - - outlet - { - type zeroGradient; - } -} - - -// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/0/Qsource b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/0/Qsource deleted file mode 100644 index 64313b48..00000000 --- a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/0/Qsource +++ /dev/null @@ -1,51 +0,0 @@ -/*--------------------------------*- C++ -*----------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 2.3.0 | -| \\ / A nd | Web: www.OpenFOAM.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ -FoamFile -{ - version 2.0; - format ascii; - class volScalarField; - location "0"; - object Qsource; -} -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -dimensions [1 -1 -3 0 0 0 0]; - -internalField uniform 0; - -boundaryField -{ - top - { - type zeroGradient; - } - - bottom - { - type zeroGradient; - } - - side-walls - { - type zeroGradient; - } - - inlet - { - type zeroGradient; - } - - outlet - { - type zeroGradient; - } -} - - -// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/0/T b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/0/T deleted file mode 100644 index 02b5cb3b..00000000 --- a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/0/T +++ /dev/null @@ -1,52 +0,0 @@ -/*--------------------------------*- C++ -*----------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 2.3.0 | -| \\ / A nd | Web: www.OpenFOAM.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ -FoamFile -{ - version 2.0; - format ascii; - class volScalarField; - location "0"; - object T; -} -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -dimensions [0 0 0 1 0 0 0]; - -internalField uniform 1223.15; // 950 + 273.15 - -boundaryField -{ - top - { - type zeroGradient; - } - - bottom - { - type zeroGradient; - } - - side-walls - { - type zeroGradient; - } - - inlet - { - type fixedValue; - value uniform 1223.15; - } - - outlet - { - type zeroGradient; - } -} - - -// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/0/U b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/0/U deleted file mode 100644 index 047777bd..00000000 --- a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/0/U +++ /dev/null @@ -1,49 +0,0 @@ -/*--------------------------------*- C++ -*----------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 2.3.0 | -| \\ / A nd | Web: www.OpenFOAM.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ -FoamFile -{ - version 2.0; - format ascii; - class volVectorField; - location "0"; - object U; -} -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -dimensions [0 1 -1 0 0 0 0]; - -internalField uniform (0.011 0 0); - -boundaryField -{ - top - { - type zeroGradient; - } - bottom - { - type zeroGradient; - } - side-walls - { - type zeroGradient; - } - inlet - { - type fixedValue; - value uniform (0.011 0 0); - } - - outlet - { - type zeroGradient; - } -} - - -// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/0/Us b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/0/Us deleted file mode 100644 index a769f873..00000000 --- a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/0/Us +++ /dev/null @@ -1,48 +0,0 @@ -/*--------------------------------*- C++ -*----------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.6 | -| \\ / A nd | Web: www.OpenFOAM.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ -FoamFile -{ - version 2.0; - format ascii; - class volVectorField; - location "0"; - object Us; -} -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -dimensions [0 1 -1 0 0 0 0]; - -internalField uniform (0 0 0); - -boundaryField -{ - top - { - type zeroGradient; - } - bottom - { - type zeroGradient; - } - side-walls - { - type zeroGradient; - } - - inlet - { - type zeroGradient; - } - - outlet - { - type zeroGradient; - } -} - -// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/0/alphat b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/0/alphat deleted file mode 100644 index 5176c807..00000000 --- a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/0/alphat +++ /dev/null @@ -1,47 +0,0 @@ -/*--------------------------------*- C++ -*----------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 2.3.0 | -| \\ / A nd | Web: www.OpenFOAM.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ -FoamFile -{ - version 2.0; - format ascii; - class volScalarField; - location "0"; - object alphat; -} -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -dimensions [1 -1 -1 0 0 0 0]; - -internalField uniform 0; - -boundaryField -{ - top - { - type zeroGradient; - } - bottom - { - type zeroGradient; - } - side-walls - { - type zeroGradient; - } - inlet - { - type zeroGradient; - } - outlet - { - type zeroGradient; - } -} - - -// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/0/epsilon b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/0/epsilon deleted file mode 100644 index 9810c397..00000000 --- a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/0/epsilon +++ /dev/null @@ -1,53 +0,0 @@ -/*--------------------------------*- C++ -*----------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 2.3.0 | -| \\ / A nd | Web: www.OpenFOAM.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ -FoamFile -{ - version 2.0; - format ascii; - class volScalarField; - location "0"; - object epsilon; -} -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -dimensions [0 2 -3 0 0 0 0]; - -internalField uniform 0.003; - -boundaryField -{ - top - { - type zeroGradient; - } - bottom - { - type zeroGradient; - } - side-walls - { - type zeroGradient; - } - inlet - { - type zeroGradient; - // If turbulence is present - /* - * type compressible::turbulentMixingLengthDissipationRateInlet; - * mixingLength 0.005; - * value uniform 200; - */ - } - outlet - { - type zeroGradient; - } -} - - -// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/0/k b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/0/k deleted file mode 100644 index b076e39a..00000000 --- a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/0/k +++ /dev/null @@ -1,47 +0,0 @@ -/*--------------------------------*- C++ -*----------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 2.3.0 | -| \\ / A nd | Web: www.OpenFOAM.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ -FoamFile -{ - version 2.0; - format ascii; - class volScalarField; - location "0"; - object k; -} -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -dimensions [0 2 -2 0 0 0 0]; - -internalField uniform 0.001; - -boundaryField -{ - top - { - type zeroGradient; - } - bottom - { - type zeroGradient; - } - side-walls - { - type zeroGradient; - } - inlet - { - type zeroGradient; - } - outlet - { - type zeroGradient; - } -} - - -// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/0/mut b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/0/mut deleted file mode 100644 index 612df953..00000000 --- a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/0/mut +++ /dev/null @@ -1,48 +0,0 @@ -/*--------------------------------*- C++ -*----------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 2.3.0 | -| \\ / A nd | Web: www.OpenFOAM.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ -FoamFile -{ - version 2.0; - format ascii; - class volScalarField; - location "0"; - object mut; -} -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -dimensions [1 -1 -1 0 0 0 0]; - -internalField uniform 0; - -boundaryField -{ - top - { - type zeroGradient; - } - bottom - { - type zeroGradient; - } - side-walls - { - type zeroGradient; - } - inlet - { - type zeroGradient; - } - - outlet - { - type zeroGradient; - } -} - - -// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/0/nut b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/0/nut deleted file mode 100644 index 0027f055..00000000 --- a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/0/nut +++ /dev/null @@ -1,51 +0,0 @@ -/*--------------------------------*- C++ -*----------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.6 | -| \\ / A nd | Web: www.OpenFOAM.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ -FoamFile -{ - version 2.0; - format ascii; - class volScalarField; - location "0"; - object nut; -} -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -dimensions [0 2 -1 0 0 0 0]; - -internalField uniform 0; - -boundaryField -{ - top - { - type zeroGradient; - } - - bottom - { - type zeroGradient; - } - - side-walls - { - type zeroGradient; - } - - inlet - { - type zeroGradient; - } - - outlet - { - type zeroGradient; - } -} - - -// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/0/p b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/0/p deleted file mode 100644 index 4af5d3be..00000000 --- a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/0/p +++ /dev/null @@ -1,49 +0,0 @@ -/*--------------------------------*- C++ -*----------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 2.3.0 | -| \\ / A nd | Web: www.OpenFOAM.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ -FoamFile -{ - version 2.0; - format ascii; - class volScalarField; - location "0"; - object p; -} -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -dimensions [1 -1 -2 0 0 0 0]; - -internalField uniform 101325; - -boundaryField -{ - top - { - type zeroGradient; - } - bottom - { - type zeroGradient; - } - side-walls - { - type zeroGradient; - } - inlet - { - type zeroGradient; - } - - outlet - { - type fixedValue; - value uniform 101325; - } -} - - -// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/0/p.org b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/0/p.org deleted file mode 100644 index af41df32..00000000 --- a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/0/p.org +++ /dev/null @@ -1,52 +0,0 @@ -/*--------------------------------*- C++ -*----------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 2.3.0 | -| \\ / A nd | Web: www.OpenFOAM.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ -FoamFile -{ - version 2.0; - format ascii; - class volScalarField; - location "0"; - object p; -} -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -dimensions [1 -1 -2 0 0 0 0]; - -internalField uniform 101325; - -boundaryField -{ - top - { - type zeroGradient; - } - - bottom - { - type zeroGradient; - } - - side-walls - { - type zeroGradient; - } - - inlet - { - type zeroGradient; - } - - outlet - { - type fixedValue; - value uniform 101325; - } -} - - -// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/0/rho b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/0/rho deleted file mode 100644 index a5f53ea7..00000000 --- a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/0/rho +++ /dev/null @@ -1,50 +0,0 @@ -/*--------------------------------*- C++ -*----------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.6 | -| \\ / A nd | Web: http://www.OpenFOAM.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ -FoamFile -{ - version 2.0; - format ascii; - class volScalarField; - object rho; -} -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -dimensions [1 -3 0 0 0 0 0]; - -internalField uniform 1.14; - -boundaryField -{ - top - { - type zeroGradient; - } - - bottom - { - type zeroGradient; - } - - side-walls - { - type zeroGradient; - } - - inlet - { - type zeroGradient; - } - - outlet - { - type zeroGradient; - } -} - - -// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/0/voidfraction b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/0/voidfraction deleted file mode 100644 index 3126fb49..00000000 --- a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/0/voidfraction +++ /dev/null @@ -1,51 +0,0 @@ -/*--------------------------------*- C++ -*----------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.6 | -| \\ / A nd | Web: www.OpenFOAM.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ -FoamFile -{ - version 2.0; - format ascii; - class volScalarField; - location "0"; - object voidfraction; -} -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -dimensions [0 0 0 0 0 0 0]; - -internalField uniform 1; - -boundaryField -{ - top - { - type zeroGradient; - } - - bottom - { - type zeroGradient; - } - - side-walls - { - type zeroGradient; - } - - inlet - { - type fixedValue; - value $internalField; - } - - outlet - { - type zeroGradient; - } -} - -// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/constant/chemistryProperties b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/constant/chemistryProperties deleted file mode 100644 index f95868bd..00000000 --- a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/constant/chemistryProperties +++ /dev/null @@ -1,42 +0,0 @@ -/*--------------------------------*- C++ -*----------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 2.3.0 | -| \\ / A nd | Web: www.OpenFOAM.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ -FoamFile -{ - version 2.0; - format ascii; - class dictionary; - location "constant"; - object chemistryProperties; -} -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -chemistry off; //on; - -/* -chemistryType -{ - chemistrySolver ode; - chemistryThermo rho; -} - -initialChemicalTimeStep 1e-07; - -EulerImplicitCoeffs -{ - cTauChem 0.05; - equilibriumRateLimiter off; -} - -odeCoeffs -{ - solver seulex; - eps 0.05; -} */ - - -// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/constant/combustionProperties b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/constant/combustionProperties deleted file mode 100644 index 487421c2..00000000 --- a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/constant/combustionProperties +++ /dev/null @@ -1,34 +0,0 @@ -/*--------------------------------*- C++ -*----------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 2.3.0 | -| \\ / A nd | Web: www.OpenFOAM.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ -FoamFile -{ - version 2.0; - format ascii; - class dictionary; - location "constant"; - object combustionProperties; -} -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -combustionModel noCombustion; //PaSR; //PaSR; - -active false; //true; - -noCombustionCoeffs -{ -} - - -PaSRCoeffs -{ - Cmix 1.0; - turbulentReaction off; -} - - -// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/constant/couplingProperties b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/constant/couplingProperties deleted file mode 100644 index 45272076..00000000 --- a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/constant/couplingProperties +++ /dev/null @@ -1,357 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class dictionary; - object couplingProperties; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -//===========================================================================// -// sub-models & settings - -modelType "A"; // A or B - -couplingInterval 50; - -voidFractionModel divided;//centre;// - -locateModel engine; //turboEngineM2M;// - -meshMotionModel noMeshMotion; - -regionModel allRegion; - -IOModel basicIO; - -probeModel off; - -dataExchangeModel twoWayMPI;//twoWayM2M;//twoWayFiles;//oneWayVTK;// - -averagingModel dilute; //dense;//// - -clockModel off;//standardClock;//off; - -smoothingModel off;// localPSizeDiffSmoothing;// constDiffSmoothing; // - -forceModels -( - GidaspowDrag - gradPForce - viscForce -); - -energyModels -( - heatTransferGunn - //reactionHeat -); - -thermCondModel SyamlalThermCond; - -chemistryModels -( - species - diffusionCoefficients - massTransferCoeff - // off -); - -momCoupleModels -( - implicitCouple -); - -turbulenceModelType "turbulenceProperties";//"LESProperties";// - -//===========================================================================// -// sub-model properties -reactionHeatProps -{ - reactionHeatName "reactionHeat"; - verbose false; -} - -heatTransferGunnProps -{ - partTempName "Temp"; - partHeatFluxName "convectiveHeatFlux"; - calcPartTempField true; - partRefTemp 1223.15; - implicit true; - verbose false; - interpolation false; -} - -speciesProps -{ - ChemistryFile "$casePath/CFD/constant/foam.inp"; - Nevery 1; - verbose false; - interpolation false; -} - -diffusionCoefficientsProps -{ - verbose false; - interpolation false; - ChemistryFile "$casePath/CFD/constant/foam.inp"; - diffusantGasNames ( CO - ); -} - -massTransferCoeffProps -{ - verbose false; - interpolation false; -} - -reactantPerParticleProps -{ -} - - -SyamlalThermCondProps -{ - voidfractionFieldName "voidfraction"; - rhoFieldName "rho"; -} - -LaEuScalarTempProps -{ - velFieldName "U"; - tempFieldName "T"; - voidfractionFieldName "voidfraction"; - partTempName "Temp"; - partHeatFluxName "convectiveHeatFlux"; - lambda 0.0256; - Cp 1007; -} - -localPSizeDiffSmoothingProps -{ - lowerLimit 0.1; - upperLimit 1e10; - dSmoothingLength 1.5e-3; - Csmoothing 1.0; -} - -constDiffSmoothingProps -{ - lowerLimit 0.1; - upperLimit 1e10; - smoothingLength 1.5e-3; -} - -implicitCoupleProps -{ - velFieldName "U"; - granVelFieldName "Us"; - voidfractionFieldName "voidfraction"; -} - -ArchimedesProps -{ - gravityFieldName "g"; -} - -gradPForceProps -{ - pFieldName "p"; - voidfractionFieldName "voidfraction"; - velocityFieldName "U"; - interpolation true; -} - -viscForceProps -{ - velocityFieldName "U"; - interpolation true; -} - -volWeightedAverageProps -{ - scalarFieldNames - ( - voidfraction - ); - vectorFieldNames - ( - ); - upperThreshold 0.999; - lowerThreshold 0; - verbose true; -} - -totalMomentumExchangeProps -{ - implicitMomExFieldName "Ksl"; - explicitMomExFieldName "none"; - fluidVelFieldName "U"; - granVelFieldName "Us"; -} - -GidaspowDragProps -{ - verbose true; - velFieldName "U"; - granVelFieldName "Us"; - voidfractionFieldName "voidfraction"; - interpolation true; //interpolation is on - phi 1; - //implForceDEM true; - //implForceDEMaccumulated true; - //explicitCorr true; -} - -BeetstraDragProps -{ - velFieldName "U"; - granVelFieldName "Us"; - gravityFieldName "g"; - voidfractionFieldName "voidfraction"; - interpolation false; - useFilteredDragModel ; - useParcelSizeDependentFilteredDrag ; - rhoP 4630.; - dPrim 0.00022; - rho 1.58; - nuf 1.126e-05; - g 9.81; - k 0.05; - aLimit 0.0; - verbose false; -} - -DEMbasedDragProps -{ - velFieldName "U"; - voidfractionFieldName "voidfraction"; -} - -DiFeliceDragProps -{ - //verbose true; - velFieldName "U"; - voidfractionFieldName "voidfraction"; - granVelFieldName "Us"; - interpolation false; -} - -KochHillDragProps -{ - verbose true; - velFieldName "U"; - voidfractionFieldName "voidfraction"; - interpolation false; - //forceSubModels - //( - // ImExCorr - //); - implForceDEM true; - //implForceDEMaccumulated true; - //explicitCorr true; -} - -RongDragProps -{ - verbose true; - velFieldName "U"; - voidfractionFieldName "voidfraction"; - interpolation false; - implForceDEM true; - implForceDEMaccumulated true; - granVelFieldName "Us"; -} - -virtualMassForceProps -{ - velFieldName "U"; -} - -particleCellVolumeProps -{ - upperThreshold 0.999; - lowerThreshold 0.; - verbose true; -} - -fieldStoreProps -{ - scalarFieldNames - ( - ); - - vectorFieldNames - ( - "U" - ); -} - -oneWayVTKProps -{ - couplingFilename "vtk_out%4.4d.vtk"; - maxNumberOfParticles 30000; -} - -twoWayFilesProps -{ - maxNumberOfParticles 10100; -} - -centreProps -{ - alphaMin 0.1; -} - -engineProps -{ - treeSearch true; -} - -turboEngineProps -{ - treeSearch true; -} - -turboEngineM2MProps -{ - turboEngineProps - { - treeSearch true; - } -} - -dividedProps -{ - alphaMin 0.01; - scaleUpVol 1.0; -} - -twoWayMPIProps -{ - liggghtsPath "../DEM/in.liggghts_run"; -} - -twoWayM2MProps -{ - maxNumberOfParticles 10100; - liggghtsPath "../DEM/in.liggghts_run"; -} -// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/constant/foam.dat b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/constant/foam.dat deleted file mode 100644 index 5191ec94..00000000 --- a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/constant/foam.dat +++ /dev/null @@ -1,111 +0,0 @@ -/*--------------------------------*- C++ -*----------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 2.3.0 | -| \\ / A nd | Web: www.OpenFOAM.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ -FoamFile -{ - version 2.0; - format ascii; - class dictionary; - location "constant"; - object foam.dat; -} -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // -H2 -{ - specie - { - nMoles 1; - molWeight 2.02; - } - thermodynamics - { - Cp 15016.8; - Hf 2.544e+06; - } - transport - { - mu 8.42e-05; - Pr 0.76; - } -} -H2O -{ - specie - { - nMoles 1; - molWeight 18.015; - } - thermodynamics - { - Cp 2304.1; - Hf 2.544e+06; - } - transport - { - mu 1.7e-05; - Pr 0.99; - } -} - -CO -{ - specie - { - nMoles 1; - molWeight 28.01; - } - thermodynamics - { - Cp 1189.14; - Hf 2.544e+06; - } - transport - { - mu 1.66e-05; - Pr 0.792; - } -} - -CO2 -{ - specie - { - nMoles 1; - molWeight 44.01; - } - thermodynamics - { - Cp 1239.98; - Hf 2.544e+06; - } - transport - { - mu 1.37e-05; - Pr 0.69; - } -} - -N2 -{ - specie - { - nMoles 1; - molWeight 28.0134; - } - thermodynamics - { - Cp 1171.6; - Hf 2.544e+06; - } - transport - { - mu 1.66e-05; - Pr 0.69; - } -} - -// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/constant/foam.inp b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/constant/foam.inp deleted file mode 100644 index 47f83881..00000000 --- a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/constant/foam.inp +++ /dev/null @@ -1,12 +0,0 @@ -species -( - CO - CO2 - N2 -); - -reactions -{ -} - - diff --git a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/constant/g b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/constant/g deleted file mode 100644 index abca4e14..00000000 --- a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/constant/g +++ /dev/null @@ -1,22 +0,0 @@ -/*--------------------------------*- C++ -*----------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 2.3.0 | -| \\ / A nd | Web: www.OpenFOAM.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ -FoamFile -{ - version 2.0; - format ascii; - class uniformDimensionedVectorField; - location "constant"; - object g; -} -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -dimensions [0 1 -2 0 0 0 0]; -value ( 0 -9.81 0 ); - - -// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/constant/liggghtsCommands b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/constant/liggghtsCommands deleted file mode 100644 index ea16dec7..00000000 --- a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/constant/liggghtsCommands +++ /dev/null @@ -1,43 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class dictionary; - object liggghtsCommands; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -liggghtsCommandModels -( - runLiggghts - writeLiggghts -); -// ************************************************************************* // - -/*runLiggghtsProps -{ - preNo false; -}*/ - -writeLiggghtsProps -{ - writeLast on; - writeName "post/restart/liggghts.restartCFDEM"; - overwrite on; -} diff --git a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/constant/polyMesh/.blockMeshDict.swp b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/constant/polyMesh/.blockMeshDict.swp deleted file mode 100644 index c91a9d3065beaa1787e5d817dab0093083017671..0000000000000000000000000000000000000000 GIT binary patch literal 0 HcmV?d00001 literal 1024 zcmeH@!3x4K42E~}HN49jnLdG=-UdVQJi0F0vbHI0C-d!f>@tMCfGmgb^XDTZf3vsT z(l%p9mL;>=?2@EYmJ2mA7v#jHEru?VTY$bcNHPc$4f&-wms1ziJFV<9H9SQ0X~qt0 zfY?X!it7O4(W1GLexbigs+4gWbBP8j?xPYKYh~*b4dXTtWJBaOf+PJdF-T}MiEdPd S5^?#ub+RV#_X*s8Kl}ik6Ffcu diff --git a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/constant/polyMesh/blockMeshDict b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/constant/polyMesh/blockMeshDict deleted file mode 100644 index 024f6e99..00000000 --- a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/constant/polyMesh/blockMeshDict +++ /dev/null @@ -1,91 +0,0 @@ -/*--------------------------------*- C++ -*----------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 2.3.0 | -| \\ / A nd | Web: www.OpenFOAM.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ -FoamFile -{ - version 2.0; - format ascii; - class dictionary; - location "constant/polyMesh"; - object blockMeshDict; -} -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -convertToMeters 1.0; - -vertices -( - (0 0 0) - (1.5 0 0) - (1.5 0.5 0) - (0 0.5 0) - (0 0 0.5) - (1.5 0 0.5) - (1.5 0.5 0.5) - (0 0.5 0.5) -); - -blocks -( - hex (0 1 2 3 4 5 6 7)(29 9 9) simpleGrading (1 1 1) - -); - -edges -( -); - -boundary -( - top - { - type wall; - faces - ( - (3 7 6 2) - ); - } - bottom - { - type wall; - faces - ( - (1 5 4 0) - ); - } - side-walls - { - type wall; - faces - ( - (0 3 2 1) - (4 5 6 7) - ); - } - inlet - { - type patch; - faces - ( - (0 4 7 3) - ); - } - outlet - { - type patch; - faces - ( - (2 6 5 1) - ); - } -); - -mergePatchPairs -( -); - -// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/constant/polyMesh/cylinderMesh.m4 b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/constant/polyMesh/cylinderMesh.m4 deleted file mode 100644 index 6df74167..00000000 --- a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/constant/polyMesh/cylinderMesh.m4 +++ /dev/null @@ -1,153 +0,0 @@ -// blockMesh : Block mesh description file -/*--------------------------------*- C++ -*----------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 2.3.0 | -| \\ / A nd | Web: www.OpenFOAM.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ -FoamFile -{ - version 2.0; - format ascii; - class dictionary; - location "constant/polyMesh"; - object blockMeshDict; -} -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // -changecom(//)changequote([,]) -define(calc, [esyscmd(perl -e 'printf ($1)')]) -define(VCOUNT, 0) -define(vlabel, [[// ]Vertex $1 = VCOUNT define($1, VCOUNT)define([VCOUNT], incr(VCOUNT))]) - - - meshGenApp blockMesh; - convertToMeters 1; - - define(D, 0.075) //75 mm column diameter - define(L, 0.15) //150 mm length - define(PI, 3.14159265) - - define(R, calc(D/2)) - define(CW, calc(D/4)) //Width of middle square section - - define(CX, calc(R*cos((PI/180)*45))) - define(CZ, calc(R*sin((PI/180)*45))) - - define(NPS, 4) //how many cells in the square section - define(NPD, 2) //how many cells from square section to perimeter - define(NPY, 15) // how many cells from top to bottom - - vertices - ( - ( CW 0.0 CW) vlabel(fiveoclocksqb) - (-CW 0.0 CW) vlabel(sevenoclocksqb) - (-CW 0.0 -CW) vlabel(elevenoclocksqb) - ( CW 0.0 -CW) vlabel(oneoclocksqb) - - ( CX 0.0 CZ) vlabel(fiveoclockcb) - (-CX 0.0 CZ) vlabel(sevenoclockcb) - (-CX 0.0 -CZ) vlabel(elevenoclockcb) - ( CX 0.0 -CZ) vlabel(oneoclockcb) - - ( CW L CW) vlabel(fiveoclocksqt) - (-CW L CW) vlabel(sevenoclocksqt) - (-CW L -CW) vlabel(elevenoclocksqt) - ( CW L -CW) vlabel(oneoclocksqt) - - ( CX L CZ) vlabel(fiveoclockct) - (-CX L CZ) vlabel(sevenoclockct) - (-CX L -CZ) vlabel(elevenoclockct) - ( CX L -CZ) vlabel(oneoclockct) - ); - - blocks - ( - //square block - hex ( - sevenoclocksqb fiveoclocksqb oneoclocksqb elevenoclocksqb - sevenoclocksqt fiveoclocksqt oneoclocksqt elevenoclocksqt - ) - (NPS NPS NPY) - simpleGrading (1 1 1) - - //slice1 - hex ( - sevenoclockcb fiveoclockcb fiveoclocksqb sevenoclocksqb - sevenoclockct fiveoclockct fiveoclocksqt sevenoclocksqt - ) - (NPS NPD NPY) - simpleGrading (1 1 1) - - //slice2 - hex ( - sevenoclocksqb elevenoclocksqb elevenoclockcb sevenoclockcb - sevenoclocksqt elevenoclocksqt elevenoclockct sevenoclockct - ) - (NPS NPD NPY) -simpleGrading (1 1 1) - - //slice3 - hex ( - elevenoclocksqb oneoclocksqb oneoclockcb elevenoclockcb - elevenoclocksqt oneoclocksqt oneoclockct elevenoclockct - ) - (NPS NPD NPY) -simpleGrading (1 1 1) - - //slice4 - hex ( - oneoclocksqb fiveoclocksqb fiveoclockcb oneoclockcb - oneoclocksqt fiveoclocksqt fiveoclockct oneoclockct - ) - (NPS NPD NPY) -simpleGrading (1 1 1) - - ); - - - //create the quarter circles - edges - ( - arc fiveoclockcb sevenoclockcb (0.0 0.0 R) - arc sevenoclockcb elevenoclockcb (-R 0.0 0.0) - arc elevenoclockcb oneoclockcb (0.0 0.0 -R) - arc oneoclockcb fiveoclockcb (R 0.0 0.0) - - arc fiveoclockct sevenoclockct (0.0 L R) - arc sevenoclockct elevenoclockct (-R L 0.0) - arc elevenoclockct oneoclockct (0.0 L -R) - arc oneoclockct fiveoclockct (R L 0.0) - - ); - - patches - ( - patch inlet - ( - (fiveoclocksqb oneoclocksqb elevenoclocksqb sevenoclocksqb) - (fiveoclocksqb fiveoclockcb oneoclockcb oneoclocksqb) - (fiveoclockcb fiveoclocksqb sevenoclocksqb sevenoclockcb) - (sevenoclocksqb elevenoclocksqb elevenoclockcb sevenoclockcb) - (oneoclocksqb oneoclockcb elevenoclockcb elevenoclocksqb) - ) - - patch outlet - ( - (fiveoclocksqt oneoclocksqt elevenoclocksqt sevenoclocksqt) - (fiveoclocksqt fiveoclockct oneoclockct oneoclocksqt) - (fiveoclockct fiveoclocksqt sevenoclocksqt sevenoclockct) - (sevenoclocksqt elevenoclocksqt elevenoclockct sevenoclockct) - (oneoclocksqt oneoclockct elevenoclockct elevenoclocksqt) - ) - - wall wall - ( - (sevenoclockcb fiveoclockcb fiveoclockct sevenoclockct) - (sevenoclockcb sevenoclockct elevenoclockct elevenoclockcb) - (elevenoclockcb elevenoclockct oneoclockct oneoclockcb) - (oneoclockcb oneoclockct fiveoclockct fiveoclockcb) - ) - -); - diff --git a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/constant/thermophysicalProperties b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/constant/thermophysicalProperties deleted file mode 100644 index 7f498e00..00000000 --- a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/constant/thermophysicalProperties +++ /dev/null @@ -1,37 +0,0 @@ -/*--------------------------------*- C++ -*----------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 2.3.0 | -| \\ / A nd | Web: www.OpenFOAM.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ -FoamFile -{ - version 2.0; - format ascii; - class dictionary; - location "constant"; - object thermophysicalProperties; -} -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -thermoType -{ - type heRhoThermo; //hePsiThermo; // - mixture reactingMixture; //species and reactions are listed in chemistry file - transport const; //sutherland; //calcualtes viscosity as a function of temperature from Stuherland coefficient As and Ts - thermo hConst; //janaf; - equationOfState perfectGas; - energy sensibleInternalEnergy; //sensibleEnthalpy; //uses enthaly in the solution - specie specie; -} - -chemistryReader foamChemistryReader; - -foamChemistryThermoFile "$casePath/CFD/constant/foam.dat"; - -foamChemistryFile "$casePath/CFD/constant/foam.inp"; - -inertSpecie N2; - -// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/constant/transportProperties b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/constant/transportProperties deleted file mode 100644 index 0209a87c..00000000 --- a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/constant/transportProperties +++ /dev/null @@ -1,47 +0,0 @@ -/*--------------------------------*- C++ -*----------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.6 | -| \\ / A nd | Web: www.OpenFOAM.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ -FoamFile -{ - version 2.0; - format ascii; - class dictionary; - location "constant"; - object transportProperties; -} -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -transportModel Newtonian; - -nu nu [ 0 2 -1 0 0 0 0 ] 1.526e-05; // dnyamic viscosity of CO : 1.74*10^-5 [kg/ms] -- density: 1.14 kg/m3 - // dynamic viscosity of O2 = 2,04-10^-5[kg/ms]; - // density of O2 = 1.4290 [kg/m^3] - // kinematic viscosity of air (o2+n2) = 1.48e-05; - -kf kf [ 1 1 -3 -1 0 0 0 ] 0.0507; // comes from energy model - -Cp Cp [ 0 2 -2 -1 0 0 0 ] 1118.15; // comes from energy model - - -// ******* Non-Newtonian transport properties ************************ // -/*CrossPowerLawCoeffs -{ - nu0 nu0 [ 0 2 -1 0 0 0 0 ] 1e-06; - nuInf nuInf [ 0 2 -1 0 0 0 0 ] 1e-06; - m m [ 0 0 1 0 0 0 0 ] 1; - n n [ 0 0 0 0 0 0 0 ] 1; -} - -BirdCarreauCoeffs -{ - nu0 nu0 [ 0 2 -1 0 0 0 0 ] 1e-06; - nuInf nuInf [ 0 2 -1 0 0 0 0 ] 1e-06; - k k [ 0 0 1 0 0 0 0 ] 0; - n n [ 0 0 0 0 0 0 0 ] 1; -} -*/ -// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/constant/turbulenceProperties b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/constant/turbulenceProperties deleted file mode 100644 index d1156961..00000000 --- a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/constant/turbulenceProperties +++ /dev/null @@ -1,20 +0,0 @@ -/*--------------------------------*- C++ -*----------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 2.3.0 | -| \\ / A nd | Web: www.OpenFOAM.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ -FoamFile -{ - version 2.0; - format ascii; - class dictionary; - location "constant"; - object turbulenceProperties; -} -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -simulationType laminar; - -// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/system/controlDict b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/system/controlDict deleted file mode 100644 index 49b4efa6..00000000 --- a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/system/controlDict +++ /dev/null @@ -1,145 +0,0 @@ -/*--------------------------------*- C++ -*----------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 2.3.0 | -| \\ / A nd | Web: www.OpenFOAM.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ -FoamFile -{ - version 2.0; - format ascii; - class dictionary; - location "system"; - object controlDict; -} -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -application cfdemSolverRhoPimpleChem; - -startFrom startTime; - -startTime 0.0; - -stopAt endTime; - -endTime 1200.0; - -deltaT 1; - -writeControl timeStep; - -writeInterval 50; - -purgeWrite 10; - -writeFormat ascii; - -writePrecision 6; - -writeCompression off; - -timeFormat general; - -timePrecision 6; - -runTimeModifiable true; - -adjustTimeStep no; - -maxCo 0.5; - -maxDeltaT 0.1; - - -// ************************************************************************* // - libs ( - "libfieldFunctionObjects.so" - ); - -functions -{ - moleFrac - { - type rhoReactionThermoMoleFractions; - } - - probes1 - { - type probes; - functionObjectLibs ("libsampling.so"); - #include "probesDict"; - } - - - fieldMinMax_T - { - type fieldMinMax; - libs ("libfieldFunctionObjects.so"); - fields (T); - // Report the location of the field extrema - location yes; - // Type of extrema for rank > 0 primitives - mode magnitude; // magnitude | component - } - - fieldMinMax_Cpv - { - type fieldMinMax; - libs ("libfieldFunctionObjects.so"); - fields (Cpv); - // Report the location of the field extrema - location yes; - // Type of extrema for rank > 0 primitives - mode magnitude; // magnitude | component - } - - fieldMinMax_partTemp - { - type fieldMinMax; - libs ("libfieldFunctionObjects.so"); - fields (partTemp); - location yes; - mode magnitude; - } - - globalMassFrac - { - type volRegion; - libs ("libfieldFunctionObjects.so"); - writeControl timeStep;//outputTime; - writeInterval 1; - log true; - writeFields false; - regionType all; - name c0; - operation weightedVolAverage; - weightField rhoeps; - fields - ( - CO2 - CO - N2 - ); - } - - globalMass - { - type volRegion; - libs ("libfieldFunctionObjects.so"); - writeControl timeStep;//outputTime; - writeInterval 1; - log true; - writeFields false; - regionType all; - name c1; - operation volIntegrate; - fields - ( - rhoeps - rho - ); - } -} - -// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/system/decomposeParDict b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/system/decomposeParDict deleted file mode 100644 index c5dcd7c4..00000000 --- a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/system/decomposeParDict +++ /dev/null @@ -1,46 +0,0 @@ -/*--------------------------------*- C++ -*----------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 2.3.0 | -| \\ / A nd | Web: www.OpenFOAM.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ -FoamFile -{ - version 2.0; - format ascii; - class dictionary; - location "system"; - object decomposeParDict; -} -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -numberOfSubdomains 2; - -//method scotch; -method simple; - -simpleCoeffs -{ - n (2 1 1); - delta 0.001; -} - -hierarchicalCoeffs -{ - n ( 1 1 1 ); - delta 0.001; - order xyz; -} - -manualCoeffs -{ - dataFile ""; -} - -distributed no; - -roots ( ); - - -// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/system/fvOptions b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/system/fvOptions deleted file mode 100644 index 9536c869..00000000 --- a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/system/fvOptions +++ /dev/null @@ -1,30 +0,0 @@ -/*--------------------------------*- C++ -*----------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 2.3.0 | -| \\ / A nd | Web: www.OpenFOAM.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ -FoamFile -{ - version 2.0; - format ascii; - class dictionary; - location "system"; - object fvOptions; -} -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // -limitedTemperature -{ - type limitTemperature; - active yes; - limitTemperatureCoeffs - { - active yes; - selectionMode all; - Tmin 1200; - Tmax 2500; - } -} - - diff --git a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/system/fvSchemes b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/system/fvSchemes deleted file mode 100644 index a819f794..00000000 --- a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/system/fvSchemes +++ /dev/null @@ -1,83 +0,0 @@ -/*--------------------------------*- C++ -*----------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 2.3.0 | -| \\ / A nd | Web: www.OpenFOAM.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ -FoamFile -{ - version 2.0; - format ascii; - class dictionary; - location "system"; - object fvSchemes; -} -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -ddtSchemes -{ - default Euler; -} - -gradSchemes -{ - default Gauss linear; - grad(p) cellMDLimited leastSquares 0.5; - grad(U) cellMDLimited leastSquares 0.5; //cellLimited Gauss linear 1; // - grad(h) cellMDLimited leastSquares 0.5; - grad(e) cellMDLimited leastSquares 0.5; -} - -divSchemes -{ - default Gauss linear; - - div(phi,U) Gauss limitedLinear 1; //Gauss linear; //Gauss limitedLinear 1; // //Gauss limitedLinearV 1; // - div(phid,p) Gauss limitedLinear 1; //Gauss upwind; //Gauss limitedLinearV 1; - div(phi,K) Gauss limitedLinear 1; - div(phi,h) Gauss limitedLinear 1; //Gauss upwind; - div(phi,k) Gauss limitedLinear 1; //Gauss upwind; - div(phi,epsilon) Gauss limitedLinear 1; //Gauss upwind; - div(U) Gauss limitedLinear 1; - div(phi,Yi_h) Gauss multivariateSelection - { - CO limitedLinear01 1; - H2 limitedLinear01 1; - N2 limitedLinear01 1; - H2O limitedLinear01 1; - CO2 limitedLinear01 1; - h limitedLinear 1; - e limitedLinear 1; - } - // div((muEff*dev2(T(grad(U))))) Gauss linear; - div((viscousTerm*dev2(grad(U).T()))) Gauss linear; - div((thermo:mu*dev(grad(U).T()))) Gauss linear; - div((nuEff*dev2(T(grad(U))))) Gauss linear; - div(phi,T) Gauss limitedLinear 1; -} - -laplacianSchemes -{ - default Gauss linear corrected; //Gauss linear orthogonal; -} - -interpolationSchemes -{ - default linear; - interpolate(U) linear; -} - -snGradSchemes -{ - default corrected; //orthogonal; -} - -fluxRequired -{ - default no; - p ; -} - - -// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/system/fvSolution b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/system/fvSolution deleted file mode 100644 index 9976d4cd..00000000 --- a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/system/fvSolution +++ /dev/null @@ -1,131 +0,0 @@ -/*--------------------------------*- C++ -*----------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 2.3.0 | -| \\ / A nd | Web: www.OpenFOAM.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ -FoamFile -{ - version 2.0; - format ascii; - class dictionary; - location "system"; - object fvSolution; -} -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // -solvers -{ - p - { - solver PCG; - preconditioner DIC; - tolerance 1e-6; - relTol 0.01; - /*solver GAMG; - tolerance 1e-06; - relTol 0.01; - smoother GaussSeidel; - nPreSweeps 0; - nPostSweeps 2; - nFinestSweeps 2; - cacheAgglomeration on; - nCellsInCoarsestLevel 10; - agglomerator faceAreaPair; - mergeLevels 1; */ - } - - pFinal - { - $p; - tolerance 1e-06; - relTol 0; - } - - "(rho|G)" - { - solver PCG; - preconditioner DIC; - tolerance 1e-6; - relTol 0.01; - /*solver smoothSolver; - smoother symGaussSeidel; - tolerance 1e-6; - relTol 0.1; - nSweeps 3;*/ - } - - "(rho|G)Final" - { - $rho; - tolerance 1e-06; - relTol 0; - } - - "(U|h|e|R|k|epsilon)" - { - solver smoothSolver; - smoother symGaussSeidel; - tolerance 1e-05; - relTol 0.1; - } - - "(U|h|e|R|k|epsilon)Final" - { - $U; - tolerance 1e-05; - relTol 0; - } - - "(Yi|CO|CO2|H2|H2O|N2)" - { - solver smoothSolver; - smoother symGaussSeidel; - tolerance 1e-06; - relTol 0.01; - maxIter 100; - } - - "(Yi|CO|CO2|H2|H2O|N2)Final" - { - $Yi; - tolerance 1e-06; - relTol 0; - maxIter 100; - } - - T - { - solver PBiCG; - preconditioner DILU; - tolerance 1e-8; - relTol 0; - } -} - -PIMPLE -{ - momentumPredictor yes; - nOuterCorrectors 5; - nCorrectors 2; - nNonOrthogonalCorrectors 0; - rhoMin rhoMin [ 1 -3 0 0 0 ] 0.4; - rhoMax rhoMax [ 1 -3 0 0 0 ] 2.0; -} - -relaxationFactors -{ - fields - { - T 0.5; - "(Yi|CO|CO2|H2|H2O|N2)" 0.6; - p 0.6; - } - equations - { - ".*" 0.8; - "(h|e).*" 0.5; - } -} - -// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/system/probesDict b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/system/probesDict deleted file mode 100644 index e206213e..00000000 --- a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/CFD/system/probesDict +++ /dev/null @@ -1,47 +0,0 @@ -/*--------------------------------*- C++ -*----------------------------------*\ -| ========= | | -| \ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \ / O peration | Version: 2.1.x | -| \ / A nd | Web: www.OpenFOAM.org | -| \/ M anipulation | | -\*---------------------------------------------------------------------------*/ -FoamFile -{ - version 2.0; - format ascii; - class dictionary; - object probesDict; -} -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - - - -fields -( - rho - p - T - Cpv - N2 - CO2 - CO - ModSpeciesMassField_N2 - ModSpeciesMassField_CO2 - ModSpeciesMassField_CO - X_CO - X_CO2 -); - -writeControl timeStep; -writeInterval 50; - - -// Locations to be probed. -probeLocations -( - (7.0 2.5 2.5) - (8.0 2.5 2.5) - (1.0 2.5 2.5) -); - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // diff --git a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/DEM/.in.liggghts_run.swo b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/DEM/.in.liggghts_run.swo deleted file mode 100644 index a18da512f3b027f0046f03115b309abc6c74a8d0..0000000000000000000000000000000000000000 GIT binary patch literal 0 HcmV?d00001 literal 16384 zcmeHN&5s;M6)zl;Fo8hi9FW4L!dz^V>FLk;aDv2olA{#1V-bT#&eMA>sgMjNkx=oDlFofP@GMzt>+gvpc&X#GG91{mu5)t9te7 zSFc{x8`pt(>!m$DG+c(~3C8~P1N*l7$=mE_A7SiJ#(p44aQ^e()_c9G*x!BO`RjYt 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zm8P!TgTf0u;z*YBSia$yfT~SAq*rWMbeJ)jl2{i?q}0k1y>emHMbA`f6jnp(%WM)P zIMs4~g(MY_CbWi#b(+Qw&`=)Ni6kM3-F}A zG?96p#Q8pL%j;@jkbAdvt{BNh0N%TfLKaX zf+It=#w<>yv5@n{1aU&nmNWvy3m=Zb4N=BO)~q3$Tw%BxxpIVf&#y@QKaa589hV}7bbPmUdk zl9&ahFhLS4A4x^_43QQ?G%W&bl3{YpbpEgNf2_^*Gd0#Neke9|+9ZD?t16G>tw`tp zI{(-C|Jn-D`G56=)GFQ9`M=Kpb^c#{QG=Xa=l}oP7YnOwTIc_5>ZtR7o&VPfVx;qb Ko&Uej{Qo~O4+X>k diff --git a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/DEM/in.liggghts_init b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/DEM/in.liggghts_init deleted file mode 100644 index 30fee690..00000000 --- a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/DEM/in.liggghts_init +++ /dev/null @@ -1,58 +0,0 @@ -# Particle insertion into domain -atom_style granular -atom_modify map array -echo both - -communicate single vel yes - -boundary f f f -newton off - -units si -processors 2 1 1 - -region reg block 0. 1.5 0. 0.5 0. 0.5 units box -create_box 1 reg - -neighbor 0.0005 bin -neigh_modify delay 0 - -# Material properties required for granular pair styles -fix m1 all property/global youngsModulus peratomtype 5.e6 -fix m2 all property/global poissonsRatio peratomtype 0.45 -fix m3 all property/global coefficientRestitution peratomtypepair 1 0.3 -fix m4 all property/global coefficientFriction peratomtypepair 1 0.5 - -# pair style -pair_style gran model hertz tangential history # Hertzian without cohesion -pair_coeff * * - -# timestep, gravity -timestep 1e-2 -fix gravi all gravity 0.0 vector 0.0 -1.0 0.0 - -# walls -fix xwalls1 all wall/gran model hertz tangential history primitive type 1 xplane 0.0 -fix xwalls2 all wall/gran model hertz tangential history primitive type 1 xplane 1.5 -fix ywalls1 all wall/gran model hertz tangential history primitive type 1 yplane 0.0 -fix ywalls2 all wall/gran model hertz tangential history primitive type 1 yplane 0.5 -fix zwalls1 all wall/gran model hertz tangential history primitive type 1 zplane 0.0 -fix zwalls2 all wall/gran model hertz tangential history primitive type 1 zplane 0.5 - -# create single particle in a specific spot -create_atoms 1 single 0.75 0.25 0.25 units box -set atom 1 diameter 0.01106028 density 4300 vx 0 vy 0 vz 0 - -# screen output -compute rke all erotate/sphere -thermo_style custom step atoms ke c_rke vol -thermo 1000 -thermo_modify lost ignore norm no -compute_modify thermo_temp dynamic yes - -# insert the first particles so that dump is not empty -run 1 -dump dmp all custom 100 post/dump.liggghts_init id type x y z vx vy vz fx fy fz radius mass - -run 10 upto -write_restart post/restart/liggghts.restart diff --git a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/DEM/in.liggghts_run b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/DEM/in.liggghts_run deleted file mode 100644 index 3d2a9fa0..00000000 --- a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/DEM/in.liggghts_run +++ /dev/null @@ -1,194 +0,0 @@ -# Pour granular particles into chute container, then induce flow -log ../DEM/log.liggghts -thermo_log ../DEM/post/thermo.txt - -atom_style granular -atom_modify map array -communicate single vel yes - -boundary f f f -newton off - -units si -processors 2 1 1 - -# read the restart file -read_restart ../DEM/post/restart/liggghts.restart - -neighbor 0.0005 bin -neigh_modify delay 0 - -# Material properties required for granular pair styles - -fix m1 all property/global youngsModulus peratomtype 5.e6 -fix m2 all property/global poissonsRatio peratomtype 0.45 -fix m3 all property/global coefficientRestitution peratomtypepair 1 0.3 -fix m4 all property/global coefficientFriction peratomtypepair 1 0.5 - -# pair style -pair_style gran model hertz tangential history # Hertzian without cohesion -pair_coeff * * - -# timestep, gravity -timestep 0.02 -fix gravi all gravity 9.81 vector 0.0 -1.0 0.0 - -# walls -fix xwalls1 all wall/gran model hertz tangential history primitive type 1 xplane 0.0 -fix xwalls2 all wall/gran model hertz tangential history primitive type 1 xplane 1.5 -fix ywalls1 all wall/gran model hertz tangential history primitive type 1 yplane 0.0 -fix ywalls2 all wall/gran model hertz tangential history primitive type 1 yplane 0.5 -fix zwalls1 all wall/gran model hertz tangential history primitive type 1 zplane 0.0 -fix zwalls2 all wall/gran model hertz tangential history primitive type 1 zplane 0.5 - -# Thermal properties -fix ftco all property/global thermalConductivity peratomtype 1.4 -fix ftca all property/global thermalCapacity peratomtype 3000 - -############################################### - -# cfd coupling -fix cfd all couple/cfd couple_every 50 mpi -fix cfd2 all couple/cfd/force - -# this one invokes heat transfer calculation, transfers per-particle temperature and adds convective heat flux to particles -fix tconv all couple/cfd/convection T0 1221 - -# this should invoke chemistry -fix cfd3 all couple/cfd/chemistry n_species 3 species_names CO CO2 N2 n_diff 1 diffusant_names CO - -# Activate for 3-layer unreacted core shrink model -fix cfd5 all chem/shrink/core speciesA CO molMassA 0.02801 speciesC CO2 molMassC 0.04401 scale_reduction_rate 10.0 screen yes - -# Chemical properties for unreacted shrink core (activate only when chem/shrink/core is active) -fix k0_CO all property/atom k0_cfd5 vector yes no no 17 25 2700 -fix Ea_CO all property/atom Ea_cfd5 vector yes no no 74000 73674 113859 #69488 73674 113859 - -# particle porosity/tortuosity/pore diameter -fix porosity all property/atom porosity_ vector yes no no 0.65 0.31 0.16 0.15 -fix tortuosity all property/global tortuosity_ scalar 3 -fix pore_diameter all property/global pore_diameter_ scalar 1e-6 - -# define layer properties -fix LayerRelRadii all property/atom relRadii vector yes no no 1.0 0.998 0.995 0.98 - -### define fix for mass layer - initial testing -fix LayerMasses all property/atom massLayer vector yes no no 0. 0. 0. 0. - -fix LayerDennsities all property/global density_all vector 7870. 5740. 5170. 5240. - -## define fix for rho_eff and fracRed - initialize as zero -fix fracRed all property/atom fracRed_all vector yes no no 0. 0. 0. -fix rhoeff all property/atom rhoeff vector yes no no 0. 0. 0. 0. - -############### -# Write data into files for post-processing - -variable WI equal 10 -variable time equal time -variable m1 equal mass[1] -variable rp equal radius[1] -variable rho1 equal mass[1]/((4/3)*PI*radius[1]*radius[1]*radius[1]) -fix printmass all print ${WI} "${time} ${m1} ${rho1} ${rp}" file mass_rho_rad.txt title "#time mass rho rad_par" - -# compute kinetic energy of particles to see if they are moving changing -compute KinEn all ke -variable ke_tot equal c_KinEn - -# print total kinetic energy -fix printCompute all print ${WI} "${time} ${ke_tot}" file printKE.txt title "#time ke_tot" - -compute Ea_CO all reduce sum f_Ea_CO[1] f_Ea_CO[2] f_Ea_CO[3] -fix Ea all ave/time 1 1 1 c_Ea_CO[1] c_Ea_CO[2] c_Ea_CO[3] -variable Ea1 equal f_Ea[1] -variable Ea2 equal f_Ea[2] -variable Ea3 equal f_Ea[3] - -compute k0CO all reduce sum f_k0_CO[1] f_k0_CO[2] f_k0_CO[3] -fix k0 all ave/time 1 1 1 c_k0CO[1] c_k0CO[2] c_k0CO[3] -variable k01 equal f_k0[1] -variable k02 equal f_k0[2] -variable k03 equal f_k0[3] - -fix printk0Ea all print ${WI} "${time} ${Ea1} ${Ea2} ${Ea3} ${k01} ${k02} ${k03}" file k0Ea.dat title "#time Ea1 Ea2 Ea3 k01 k02 k03" - -############### -# Print out values affecting chemical reduction into specified folder for given time -# Diffusion Coefficient for CO and H2 - -compute COdiff all reduce sum f_CO_diffCoeff -fix diffField_CO all ave/time 1 1 1 c_COdiff -variable CO_diffCo equal f_diffField_CO - -fix printDCoeff all print ${WI} "${time} ${CO_diffCo}" file DiffCoeff.dat title "#time CO_diffCoeff" - -############### -# Specific Resistance terms depending on reacting gases - -compute ACOd1 all reduce sum f_Aterm_cfd5[1] f_Aterm_cfd5[2] f_Aterm_cfd5[3] -fix ACOd1 all ave/time 1 1 1 c_ACOd1[1] c_ACOd1[2] c_ACOd1[3] -variable a_CO_1 equal f_ACOd1[1] -variable a_CO_2 equal f_ACOd1[2] -variable a_CO_3 equal f_ACOd1[3] - -compute BCOd1 all reduce sum f_Bterm_cfd5[1] f_Bterm_cfd5[2] f_Bterm_cfd5[3] -fix BCOd1 all ave/time 10 1 10 c_BCOd1[1] c_BCOd1[2] c_BCOd1[3] -variable b_CO_1 equal f_BCOd1[1] -variable b_CO_2 equal f_BCOd1[2] -variable b_CO_3 equal f_BCOd1[3] - -compute MCOd1 all reduce sum f_Massterm_cfd5 -fix MTCOd1 all ave/time 10 1 10 c_MCOd1 -variable mt_CO equal f_MTCOd1 - -fix printAterm all print ${WI} "${time} ${a_CO_1} ${a_CO_2} ${a_CO_3}" file Aterm.dat title "#time a_CO_1 aCO_2 a_CO_3" - -fix printBterm all print ${WI} "${time} ${b_CO_1} ${b_CO_2} ${b_CO_3}" file Bterm.dat title "#time b_CO_1 b_CO_2 b_CO_3" - -fix printMassTerm all print ${WI} "${time} ${mt_CO}" file MassTerm.dat title "#time mt_CO" - -# Print out fractional reduction for specific diameter ranges as well as total fractional reduction - -############### - -compute fr_1 all reduce sum f_fracRed[1] f_fracRed[2] f_fracRed[3] -fix fr_d1 all ave/time 1 1 1 c_fr_1[1] c_fr_1[2] c_fr_1[3] -variable fr_d1_1 equal f_fr_d1[1] -variable fr_d1_2 equal f_fr_d1[2] -variable fr_d1_3 equal f_fr_d1[3] - -# Calculate total fractional reduction to be written into the dump file for postProcessing/graphical representation -variable frOV_d1 equal 1/9*(f_fr_d1[3])+2/9*(f_fr_d1[2])+6/9*(f_fr_d1[1]) - -fix printfr1 all print ${WI} "${time} ${fr_d1_1} ${fr_d1_2} ${fr_d1_3} ${frOV_d1}" file fr_d1.dat title "#time fr_d1_1 fr_d1_2 fr_d1_3 fr_overall_d1" - -############################################### -## Check Layer Radii and Write them to files ### -compute layerRad1 all reduce sum f_LayerRelRadii[1] -fix redRad1 all ave/time 1 1 1 c_layerRad1 -variable rr1 equal f_redRad1 - -compute layerRad2 all reduce sum f_LayerRelRadii[2] -fix redRad2 all ave/time 1 1 1 c_layerRad2 -variable rr2 equal f_redRad2 - -compute layerRad3 all reduce sum f_LayerRelRadii[3] -fix redRad3 all ave/time 1 1 1 c_layerRad3 -variable rr3 equal f_redRad3 - -compute layerRad4 all reduce sum f_LayerRelRadii[4] -fix redRad4 all ave/time 1 1 1 c_layerRad4 -variable rr4 equal f_redRad4 - -fix printRelRadii all print ${WI} "${time} ${rr1} ${rr2} ${rr3} ${rr4}" file relRadii.dat title "#time relRad_1 relRad_2 relRad_3 relRad_4" -############### - -# screen output -compute rke all erotate/sphere -thermo_style custom step atoms ke c_rke vol -thermo 10 -thermo_modify lost ignore norm no -compute_modify thermo_temp dynamic yes - -dump dmp all custom 100 ../DEM/post/dump*.liggghts_run id type x y z vx vy vz fx fy fz radius mass f_fracRed[1] f_fracRed[2] f_fracRed[3] -run 1 diff --git a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/README b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/README deleted file mode 100644 index 6db9fda8..00000000 --- a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/README +++ /dev/null @@ -1,6 +0,0 @@ -Keq W-> Fe - Keq_ = exp(2744.63/T-2.946); - M-> W - Keq_ = exp(-3585.64/T+4.58); - H-> M - Keq_ = exp(3968.37/T+3.94); diff --git a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/parCFDDEMrun.sh b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/parCFDDEMrun.sh deleted file mode 100644 index ec6c115f..00000000 --- a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/parCFDDEMrun.sh +++ /dev/null @@ -1,96 +0,0 @@ -#!/bin/bash - -#===================================================================# -# allrun script for testcase as part of test routine -# run settlingTest CFD part -# Christoph Goniva - Feb. 2011 -#===================================================================# - -#- source CFDEM env vars -. ~/.bashrc - -#- include functions -source $CFDEM_PROJECT_DIR/etc/functions.sh - -#--------------------------------------------------------------------------------# -#- define variables -casePath="$(dirname "$(readlink -f ${BASH_SOURCE[0]})")" -logpath=$casePath -headerText="ISO4695" -logfileName="log_$headerText" -solverName="cfdemSolverRhoPimpleChem" -nrProcs="2" -machineFileName="none" # yourMachinefileName | none -debugMode="off" # on | off| strict -testHarnessPath="$CFDEM_TEST_HARNESS_PATH" -runOctave="false" -postproc="false" - -#--------------------------------------------------------------------------------# - -#- call function to run a parallel CFD-DEM case -parCFDDEMrun $logpath $logfileName $casePath $headerText $solverName $nrProcs $machineFileName $debugMode - - -if [ $runOctave == "true" ] - then - #------------------------------# - # octave - - #- change path - cd octave - - #- rmove old graph - rm cfdemSolverPiso_ErgunTestMPI.eps - - #- run octave - octave totalPressureDrop.m - - #- show plot - evince cfdemSolverPiso_ErgunTestMPI.eps - - #- copy log file to test harness - cp ../../$logfileName $testHarnessPath - cp cfdemSolverPiso_ErgunTestMPI.eps $testHarnessPath -fi - -if [ $postproc == "true" ] - then - - #- keep terminal open (if started in new terminal) - echo "simulation finished? ...press enter to proceed" - read - - #- get VTK data from liggghts dump file - cd $casePath/DEM/post - python -i $CFDEM_LPP_DIR/lpp.py dump*.liggghts_run - - #- get VTK data from CFD sim - cd $casePath/CFD - reconstructPar - foamToVTK #- serial run of foamToVTK - #source $CFDEM_SRC_DIR/lagrangian/cfdemParticle/etc/functions.sh #- include functions - #pseudoParallelRun "foamToVTK" $nrPostProcProcessors #- pseudo parallel run of foamToVTK - - #- start paraview - paraview - - #- keep terminal open (if started in new terminal) - echo "...press enter to clean up case" - echo "press Ctr+C to keep data" - read - -fi - -#- clean up case -#echo "deleting data at: $casePath :\n" -#source $WM_PROJECT_DIR/bin/tools/CleanFunctions -#cd $casePath/CFD -#cleanCase -#rm -r $casePath/CFD/clockData -#rm $casePath/DEM/post/*.* -#touch $casePath/DEM/post/.gitignore -#rm $casePath/DEM/post/restart/*.* -#rm $casePath/DEM/post/restart/liggghts.restartCFDEM* -#touch $casePath/DEM/post/restart/.gitignore -#echo "done" diff --git a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/parDEMrun.sh b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/parDEMrun.sh deleted file mode 100755 index 3b9653f8..00000000 --- a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/parDEMrun.sh +++ /dev/null @@ -1,30 +0,0 @@ -#!/bin/bash - -#===================================================================# -# DEMrun script for ErgunTestMPI testcase -# init ErgunTestMPI -# Christoph Goniva - July 2014 -#===================================================================# - -#- source CFDEM env vars -. ~/.bashrc - -#- include functions -source $CFDEM_PROJECT_DIR/etc/functions.sh - -echo "starting DEM run in parallel..." -#--------------------------------------------------------------------------------# -#- define variables -casePath="$(dirname "$(readlink -f ${BASH_SOURCE[0]})")" -logpath="$casePath" -headerText="run_liggghts_init_DEM" -logfileName="log_$headerText" -solverName="in.liggghts_init" -nrProcs=2 -machineFileName="none" -debugMode="off" -#--------------------------------------------------------------------------------# - -#- call function to run DEM case -parDEMrun $logpath $logfileName $casePath $headerText $solverName $nrProcs $machineFileName $debugMode - diff --git a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/postrun.sh b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/postrun.sh deleted file mode 100755 index 06624406..00000000 --- a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/postrun.sh +++ /dev/null @@ -1,19 +0,0 @@ -#!/bin/bash -#- source CFDEM env vars -. ~/.bashrc - -#- include functions -source $CFDEM_PROJECT_DIR/etc/functions.sh - -casePath="$(dirname "$(readlink -f ${BASH_SOURCE[0]})")" - -#- get VTK data from liggghts dump file -cd $casePath/DEM/post -python -i $CFDEM_LPP_DIR/lpp.py dump*.liggghts_run - -#- get VTK data from CFD sim -cd $casePath/CFD -reconstructPar -foamToVTK - - diff --git a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/prerun.sh b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/prerun.sh deleted file mode 100755 index 7b370ae7..00000000 --- a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/prerun.sh +++ /dev/null @@ -1,13 +0,0 @@ -#!/bin/bash - -#- define variables -casePath="$(dirname "$(readlink -f ${BASH_SOURCE[0]})")" - -# check if mesh was built -if [ -f "$casePath/CFD/constant/polyMesh/boundary" ]; then - echo "mesh was built before - using old mesh" -else - echo "mesh needs to be built" - cd $casePath/CFD - blockMesh -fi \ No newline at end of file diff --git a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/run.config b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/run.config deleted file mode 100644 index 9091b486..00000000 --- a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/run.config +++ /dev/null @@ -1,19 +0,0 @@ -{ - "type" : "CFDEMcoupling", - "runs" : [ - { - "name" : "liggghts-init", - "input_script" : "DEM/in.liggghts_init", - "type" : "liggghts/serial" - }, - { - "name" : "cfdemrun", - "depends_on" : "liggghts-init", - "solver" : "cfdemSolverPiso", - "type" : "CFDEMcoupling/mpi", - "nprocs" : 2, - "pre_scripts" : ["prerun.sh"], - "post_scripts" : ["postrun.sh"] - } - ] -} diff --git a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/runLiseScript b/tutorials/cfdemSolverRhoPimpleChem/ISO4695/runLiseScript deleted file mode 100644 index 06278633..00000000 --- a/tutorials/cfdemSolverRhoPimpleChem/ISO4695/runLiseScript +++ /dev/null @@ -1,19 +0,0 @@ -#!/bin/bash -#PBS -o fb.out -#PBS -V -#PBS -k oe -#PBS -j oe -#PBS -l nodes=1:ppn=4 -#PBS -l walltime=24:00:00 -#PBS -m ae -#PBS -M mustafa_efe.kinaci@jku.at - -source ~/.bashrc -source /apps/openfoam-4.0/OpenFOAM-4.x-version-4.0/etc/bashrc -source $HOME/CFDEM/CFDEMcoupling/etc/bashrc -module add icc gcc - -caseDir=$HOME/CFDEM/CFDEMcoupling/tutorials/cfdemSolverRhoPimpleChem/ISO4695 -cd $caseDir - -./Allrun.sh From 4da9233db206b985d47584d90b4dbddf65cb7aae Mon Sep 17 00:00:00 2001 From: ekinaci Date: Wed, 18 Sep 2019 16:40:03 +0200 Subject: [PATCH 60/92] Modify Case for GOD0k1 30CO6H2 ..updated it to the latest version of LIGGGHTS and CFDEMcoupling. --- .../{Allclean.sh => Allclean} | 0 .../30CO6H2_Hematite/Allrun.sh | 5 +- .../30CO6H2_Hematite/CFD/0/CO | 6 +- .../30CO6H2_Hematite/CFD/0/CO2 | 6 +- .../30CO6H2_Hematite/CFD/0/H2 | 6 +- .../30CO6H2_Hematite/CFD/0/H2O | 5 +- .../30CO6H2_Hematite/CFD/0/N2 | 4 +- .../30CO6H2_Hematite/CFD/0/T | 3 +- .../30CO6H2_Hematite/CFD/0/U | 6 +- .../30CO6H2_Hematite/CFD/0/p | 6 +- .../30CO6H2_Hematite/CFD/0/p.org | 6 +- .../30CO6H2_Hematite/CFD/0/voidfraction | 3 +- .../CFD/constant/chemistryProperties | 3 +- .../CFD/constant/combustionProperties | 3 +- .../CFD/constant/couplingProperties | 109 ++++---- .../30CO6H2_Hematite/CFD/constant/foam.dat | 137 ++++------ .../30CO6H2_Hematite/CFD/constant/g | 2 +- .../CFD/constant/liggghtsCommands | 2 +- .../CFD/constant/polyMesh/.blockMeshDict.swp | Bin 0 -> 1024 bytes .../CFD/constant/polyMesh/cylinderMesh.m4 | 153 +++++++++++ .../CFD/constant/thermophysicalProperties | 43 +--- .../CFD/constant/transportProperties | 5 +- .../30CO6H2_Hematite/CFD/system/controlDict | 110 ++++---- .../CFD/system/controlDict_test | 147 ----------- .../30CO6H2_Hematite/CFD/system/fvOptions | 30 +++ .../30CO6H2_Hematite/CFD/system/fvSchemes | 37 ++- .../30CO6H2_Hematite/CFD/system/fvSolution | 86 ++++--- .../30CO6H2_Hematite/CFD/system/probesDict | 4 +- .../30CO6H2_Hematite/DEM/in.liggghts_init | 8 +- .../30CO6H2_Hematite/DEM/in.liggghts_run | 237 ++++++++++-------- .../DEM/post/restart/.gitignore | 0 .../30CO6H2_Hematite/README | 5 + .../30CO6H2_Hematite/parCFDDEMrun.sh | 9 +- .../30CO6H2_Hematite/parDEMrun.sh | 5 +- .../30CO6H2_Hematite/postproc.sh | 18 -- .../30CO6H2_Hematite/postrun.sh | 19 +- .../30CO6H2_Hematite/prerun.sh | 6 +- .../30CO6H2_Hematite/run.config | 5 +- 38 files changed, 653 insertions(+), 586 deletions(-) rename tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/{Allclean.sh => Allclean} (100%) create mode 100644 tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/polyMesh/.blockMeshDict.swp create mode 100644 tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/polyMesh/cylinderMesh.m4 delete mode 100644 tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/system/controlDict_test create mode 100644 tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/system/fvOptions delete mode 100644 tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/DEM/post/restart/.gitignore create mode 100644 tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/README delete mode 100644 tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/postproc.sh diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/Allclean.sh b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/Allclean similarity index 100% rename from tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/Allclean.sh rename to tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/Allclean diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/Allrun.sh b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/Allrun.sh index 0f5569b2..5c5cfbbc 100755 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/Allrun.sh +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/Allrun.sh @@ -1,8 +1,9 @@ #!/bin/bash #===================================================================# -# allrun script for testcase -# M. Efe Kinaci - Sep 2018 +# allrun script for testcase as part of test routine +# run settlingTest +# Christoph Goniva - Sept. 2010 #===================================================================# #- source CFDEM env vars diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/CO b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/CO index 2acf5c56..c6559c7a 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/CO +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/CO @@ -17,7 +17,7 @@ FoamFile dimensions [0 0 0 0 0 0 0]; -internalField uniform 0.31018; // 30%; +internalField uniform 0.3101580355; boundaryField { @@ -38,8 +38,8 @@ boundaryField inlet { - type fixedValue; - value uniform 0.31018; + type fixedValue; + value uniform 0.3101580355; } outlet diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/CO2 b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/CO2 index ea731072..409488df 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/CO2 +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/CO2 @@ -17,7 +17,7 @@ FoamFile dimensions [0 0 0 0 0 0 0]; -internalField uniform 0.064981; // 4%; +internalField uniform 0.0649770565; boundaryField { @@ -38,8 +38,8 @@ boundaryField inlet { - type fixedValue; - value uniform 0.064981; + type fixedValue; + value uniform 0.0649770565; } outlet diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/H2 b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/H2 index 1bd5deb3..fdb19b54 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/H2 +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/H2 @@ -17,7 +17,7 @@ FoamFile dimensions [0 0 0 0 0 0 0]; -internalField uniform 0.0044638; //6%; +internalField uniform 0.0044735397; boundaryField { @@ -38,8 +38,8 @@ boundaryField inlet { - type fixedValue; - value uniform 0.0044638; + type fixedValue; + value uniform 0.0044735397; } outlet diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/H2O b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/H2O index 18663ebf..ca8df421 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/H2O +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/H2O @@ -17,7 +17,7 @@ FoamFile dimensions [0 0 0 0 0 0 0]; -internalField uniform 0.00001; +internalField uniform 0.0; boundaryField { @@ -38,8 +38,7 @@ boundaryField inlet { - type fixedValue; - value uniform 0.00001; + type zeroGradient; } outlet diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/N2 b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/N2 index 7422315b..0c813655 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/N2 +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/N2 @@ -17,7 +17,7 @@ FoamFile dimensions [0 0 0 0 0 0 0]; -internalField uniform 0.62036; //60 %; +internalField uniform 0.6203913683; boundaryField { @@ -39,7 +39,7 @@ boundaryField inlet { type fixedValue; - value uniform 0.62036; + value uniform 0.6203913683; } outlet diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/T b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/T index 311178fd..02b5cb3b 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/T +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/T @@ -38,7 +38,8 @@ boundaryField inlet { - type zeroGradient; + type fixedValue; + value uniform 1223.15; } outlet diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/U b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/U index 3b04b2f8..047777bd 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/U +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/U @@ -23,15 +23,15 @@ boundaryField { top { - type slip; + type zeroGradient; } bottom { - type slip; + type zeroGradient; } side-walls { - type slip; + type zeroGradient; } inlet { diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/p b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/p index f8fe5daa..4af5d3be 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/p +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/p @@ -23,15 +23,15 @@ boundaryField { top { - type slip; + type zeroGradient; } bottom { - type slip; + type zeroGradient; } side-walls { - type slip; + type zeroGradient; } inlet { diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/p.org b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/p.org index 79709222..af41df32 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/p.org +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/p.org @@ -23,17 +23,17 @@ boundaryField { top { - type slip; + type zeroGradient; } bottom { - type slip; + type zeroGradient; } side-walls { - type slip; + type zeroGradient; } inlet diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/voidfraction b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/voidfraction index fe6297c2..3126fb49 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/voidfraction +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/voidfraction @@ -38,7 +38,8 @@ boundaryField inlet { - type zeroGradient; + type fixedValue; + value $internalField; } outlet diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/chemistryProperties b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/chemistryProperties index 57324344..f95868bd 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/chemistryProperties +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/chemistryProperties @@ -17,6 +17,7 @@ FoamFile chemistry off; //on; +/* chemistryType { chemistrySolver ode; @@ -35,7 +36,7 @@ odeCoeffs { solver seulex; eps 0.05; -} +} */ // ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/combustionProperties b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/combustionProperties index fdbb75e6..487421c2 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/combustionProperties +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/combustionProperties @@ -15,7 +15,7 @@ FoamFile } // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // -combustionModel PaSR; +combustionModel noCombustion; //PaSR; //PaSR; active false; //true; @@ -23,6 +23,7 @@ noCombustionCoeffs { } + PaSRCoeffs { Cmix 1.0; diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/couplingProperties b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/couplingProperties index f275d02b..b3ae8975 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/couplingProperties +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/couplingProperties @@ -26,16 +26,13 @@ FoamFile //===========================================================================// // sub-models & settings -//syncMode false; -//verbose; - modelType "A"; // A or B -couplingInterval 100; +couplingInterval 50; voidFractionModel divided;//centre;// -locateModel engine;//turboEngineM2M;// +locateModel engine; //turboEngineM2M;// meshMotionModel noMeshMotion; @@ -49,36 +46,24 @@ dataExchangeModel twoWayMPI;//twoWayM2M;//twoWayFiles;//oneWayVTK;// averagingModel dilute; //dense;//// -clockModel off; //standardClock;//off; +clockModel off;//standardClock;//off; -smoothingModel off; //localPSizeDiffSmoothing;// constDiffSmoothing; // +smoothingModel off;// localPSizeDiffSmoothing;// constDiffSmoothing; // forceModels ( - //GidaspowDrag - //BeetstraDrag - //DiFeliceDrag + GidaspowDrag gradPForce viscForce - // KochHillDrag - //DEMbasedDrag - //RongDrag - //Archimedes - //volWeightedAverage - //totalMomentumExchange - //particleCellVolume - //fieldTimeAverage - //LaEuScalarTemp ); energyModels ( - //energyModel - //heatTransferGunn - //reactionHeat + heatTransferGunn + reactionHeat ); -thermCondModel off;//SyamlalThermCond;//thermCondModel; +thermCondModel SyamlalThermCond; chemistryModels ( @@ -100,19 +85,33 @@ turbulenceModelType "turbulenceProperties";//"LESProperties";// reactionHeatProps { reactionHeatName "reactionHeat"; + verbose false; +} + +heatTransferGunnProps +{ + partTempName "Temp"; + partHeatFluxName "convectiveHeatFlux"; + calcPartTempField true; + partRefTemp 1223.15; + implicit true; + verbose false; + interpolation false; } speciesProps { - ChemistryFile "$FOAM_CASE/constant/foam.inp"; + ChemistryFile "$casePath/CFD/constant/foam.inp"; Nevery 1; - verbose true; + verbose false; + interpolation false; } diffusionCoefficientsProps { - verbose false; - ChemistryFile "$FOAM_CASE/constant/foam.inp"; + verbose false; + interpolation false; + ChemistryFile "$casePath/CFD/constant/foam.inp"; diffusantGasNames ( CO H2 ); @@ -121,8 +120,14 @@ diffusionCoefficientsProps massTransferCoeffProps { verbose false; + interpolation false; } +reactantPerParticleProps +{ +} + + SyamlalThermCondProps { voidfractionFieldName "voidfraction"; @@ -207,9 +212,32 @@ GidaspowDragProps { verbose true; velFieldName "U"; + granVelFieldName "Us"; voidfractionFieldName "voidfraction"; - interpolation true; + interpolation true; //interpolation is on phi 1; + //implForceDEM true; + //implForceDEMaccumulated true; + //explicitCorr true; +} + +BeetstraDragProps +{ + velFieldName "U"; + granVelFieldName "Us"; + gravityFieldName "g"; + voidfractionFieldName "voidfraction"; + interpolation false; + useFilteredDragModel ; + useParcelSizeDependentFilteredDrag ; + rhoP 4630.; + dPrim 0.00022; + rho 1.58; + nuf 1.126e-05; + g 9.81; + k 0.05; + aLimit 0.0; + verbose false; } DEMbasedDragProps @@ -224,7 +252,7 @@ DiFeliceDragProps velFieldName "U"; voidfractionFieldName "voidfraction"; granVelFieldName "Us"; - interpolation true; + interpolation false; } KochHillDragProps @@ -232,7 +260,7 @@ KochHillDragProps verbose true; velFieldName "U"; voidfractionFieldName "voidfraction"; - interpolation true; + interpolation false; //forceSubModels //( // ImExCorr @@ -242,26 +270,12 @@ KochHillDragProps //explicitCorr true; } -BeetstraDragProps -{ - velFieldName "U"; - gravityFieldName "g"; - rhoParticle 2000.; - voidfractionFieldName "voidfraction"; - interpolation ; - useFilteredDragModel ; - useParcelSizeDependentFilteredDrag ; - k 0.05; - aLimit 0.0; -// verbose true; -} - RongDragProps { verbose true; velFieldName "U"; voidfractionFieldName "voidfraction"; - interpolation true; + interpolation false; implForceDEM true; implForceDEMaccumulated true; granVelFieldName "Us"; @@ -312,6 +326,11 @@ engineProps treeSearch true; } +turboEngineProps +{ + treeSearch true; +} + turboEngineM2MProps { turboEngineProps diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/foam.dat b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/foam.dat index 2c7c5db9..5191ec94 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/foam.dat +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/foam.dat @@ -23,18 +23,52 @@ H2 } thermodynamics { - Tlow 200; - Thigh 1700; - Tcommon 1000; - highCpCoeffs ( 2.932831E+00 8.265980E-04 -1.464006E-07 1.540985E-11 -6.887962E-16 -8.130558E+02 -1.024316E+00); - lowCpCoeffs ( 2.344303E+00 7.980425E-03 -1.947792E-05 2.015697E-08 -7.376029E-12 -9.179241E+02 6.830022E-01); + Cp 15016.8; + Hf 2.544e+06; } transport { - As 1.67212e-06; - Ts 170.672; + mu 8.42e-05; + Pr 0.76; } } +H2O +{ + specie + { + nMoles 1; + molWeight 18.015; + } + thermodynamics + { + Cp 2304.1; + Hf 2.544e+06; + } + transport + { + mu 1.7e-05; + Pr 0.99; + } +} + +CO +{ + specie + { + nMoles 1; + molWeight 28.01; + } + thermodynamics + { + Cp 1189.14; + Hf 2.544e+06; + } + transport + { + mu 1.66e-05; + Pr 0.792; + } +} CO2 { @@ -45,38 +79,13 @@ CO2 } thermodynamics { - Tlow 200; - Thigh 6000; - Tcommon 1000; - highCpCoeffs ( 4.636511E+00 2.741457E-03 -9.958976E-07 1.603867E-10 -9.161986E-15 -4.902490E+04 -1.934896E+00 ); - lowCpCoeffs ( 2.356813E+00 8.984130E-03 -7.122063E-06 2.457301E-09 -1.428855E-13 -4.837197E+04 9.900904E+00 ); + Cp 1239.98; + Hf 2.544e+06; } transport { - As 1.67212e-06; - Ts 170.672; - } -} - -O2 -{ - specie - { - nMoles 1; - molWeight 31.9988; - } - thermodynamics - { - Tlow 200; - Thigh 5000; - Tcommon 1000; - highCpCoeffs ( 3.28254 0.00148309 -7.57967e-07 2.09471e-10 -2.16718e-14 -1088.46 5.45323 ); - lowCpCoeffs ( 3.78246 -0.00299673 9.8473e-06 -9.6813e-09 3.24373e-12 -1063.94 3.65768 ); - } - transport - { - As 1.67212e-06; - Ts 170.672; + mu 1.37e-05; + Pr 0.69; } } @@ -89,62 +98,14 @@ N2 } thermodynamics { - Tlow 200; - Thigh 6000; - Tcommon 1000; - highCpCoeffs ( 2.952541E+00 1.396884E-03 -4.926258E-07 7.860009E-11 -4.607498E-15 -9.239375E+02 5.871822E+00 ); - lowCpCoeffs ( 3.530963E+00 -1.236595E-04 -5.029934E-07 2.435277E-09 -1.408795E-12 -1.046964E+03 2.967439E+00 ); + Cp 1171.6; + Hf 2.544e+06; } transport { - As 1.67212e-06; - Ts 170.672; + mu 1.66e-05; + Pr 0.69; } } -// added CO - Thermo data from combustion.berkeley.edu/gri-mech/data/species/thermo.dat -CO -{ - specie - { - nMoles 1; - molWeight 28.01; - } - thermodynamics - { - Tlow 200; - Thigh 6000; - Tcommon 1000; - highCpCoeffs ( 3.048486E+00 1.351728E-03 -4.857941E-07 7.885364E-11 -4.698075E-15 -1.426612E+04 6.017098E+00 ); - lowCpCoeffs ( 3.579534E+00 -6.103537E-04 1.016814E-06 9.070059E-10 -9.044245E-13 -1.434409E+04 3.508409E+00 ); - } - transport - { - As 1.67212e-06; - Ts 170.672; - } -} - -H2O -{ - specie - { - nMoles 1; - molWeight 18.015; - } - thermodynamics - { - Tlow 200; - Thigh 1700; - Tcommon 1000; - highCpCoeffs ( 3.03399249E+00 2.17691804E-03 -1.64072518E-07 -9.70419870E-11 1.68200992E-14 -3.00042971E+04 4.96677010E+00); - lowCpCoeffs ( 4.19864056E+00 -2.03643410E-03 6.52040211E-06 -5.48797062E-09 1.77197817E-12 -3.02937267E+04 -8.49032208E-01 ); - } - transport - { - As 1.67212e-06; - Ts 170.672; - } -} - // ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/g b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/g index 692238d9..abca4e14 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/g +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/g @@ -16,7 +16,7 @@ FoamFile // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // dimensions [0 1 -2 0 0 0 0]; -value ( 0 0 0 ); //value ( 0 -9.81 0 ); +value ( 0 -9.81 0 ); // ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/liggghtsCommands b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/liggghtsCommands index d9e1ce81..ea16dec7 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/liggghtsCommands +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/liggghtsCommands @@ -37,7 +37,7 @@ liggghtsCommandModels writeLiggghtsProps { - writeLast off; + writeLast on; writeName "post/restart/liggghts.restartCFDEM"; overwrite on; } diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/polyMesh/.blockMeshDict.swp b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/polyMesh/.blockMeshDict.swp new file mode 100644 index 0000000000000000000000000000000000000000..c91a9d3065beaa1787e5d817dab0093083017671 GIT binary patch literal 1024 zcmeH@!3x4K42E~}HN49jnLdG=-UdVQJi0F0vbHI0C-d!f>@tMCfGmgb^XDTZf3vsT z(l%p9mL;>=?2@EYmJ2mA7v#jHEru?VTY$bcNHPc$4f&-wms1ziJFV<9H9SQ0X~qt0 zfY?X!it7O4(W1GLexbigs+4gWbBP8j?xPYKYh~*b4dXTtWJBaOf+PJdF-T}MiEdPd S5^?#ub+RV#_X*s8Kl}ik6Ffcu literal 0 HcmV?d00001 diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/polyMesh/cylinderMesh.m4 b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/polyMesh/cylinderMesh.m4 new file mode 100644 index 00000000..6df74167 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/polyMesh/cylinderMesh.m4 @@ -0,0 +1,153 @@ +// blockMesh : Block mesh description file +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + location "constant/polyMesh"; + object blockMeshDict; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // +changecom(//)changequote([,]) +define(calc, [esyscmd(perl -e 'printf ($1)')]) +define(VCOUNT, 0) +define(vlabel, [[// ]Vertex $1 = VCOUNT define($1, VCOUNT)define([VCOUNT], incr(VCOUNT))]) + + + meshGenApp blockMesh; + convertToMeters 1; + + define(D, 0.075) //75 mm column diameter + define(L, 0.15) //150 mm length + define(PI, 3.14159265) + + define(R, calc(D/2)) + define(CW, calc(D/4)) //Width of middle square section + + define(CX, calc(R*cos((PI/180)*45))) + define(CZ, calc(R*sin((PI/180)*45))) + + define(NPS, 4) //how many cells in the square section + define(NPD, 2) //how many cells from square section to perimeter + define(NPY, 15) // how many cells from top to bottom + + vertices + ( + ( CW 0.0 CW) vlabel(fiveoclocksqb) + (-CW 0.0 CW) vlabel(sevenoclocksqb) + (-CW 0.0 -CW) vlabel(elevenoclocksqb) + ( CW 0.0 -CW) vlabel(oneoclocksqb) + + ( CX 0.0 CZ) vlabel(fiveoclockcb) + (-CX 0.0 CZ) vlabel(sevenoclockcb) + (-CX 0.0 -CZ) vlabel(elevenoclockcb) + ( CX 0.0 -CZ) vlabel(oneoclockcb) + + ( CW L CW) vlabel(fiveoclocksqt) + (-CW L CW) vlabel(sevenoclocksqt) + (-CW L -CW) vlabel(elevenoclocksqt) + ( CW L -CW) vlabel(oneoclocksqt) + + ( CX L CZ) vlabel(fiveoclockct) + (-CX L CZ) vlabel(sevenoclockct) + (-CX L -CZ) vlabel(elevenoclockct) + ( CX L -CZ) vlabel(oneoclockct) + ); + + blocks + ( + //square block + hex ( + sevenoclocksqb fiveoclocksqb oneoclocksqb elevenoclocksqb + sevenoclocksqt fiveoclocksqt oneoclocksqt elevenoclocksqt + ) + (NPS NPS NPY) + simpleGrading (1 1 1) + + //slice1 + hex ( + sevenoclockcb fiveoclockcb fiveoclocksqb sevenoclocksqb + sevenoclockct fiveoclockct fiveoclocksqt sevenoclocksqt + ) + (NPS NPD NPY) + simpleGrading (1 1 1) + + //slice2 + hex ( + sevenoclocksqb elevenoclocksqb elevenoclockcb sevenoclockcb + sevenoclocksqt elevenoclocksqt elevenoclockct sevenoclockct + ) + (NPS NPD NPY) +simpleGrading (1 1 1) + + //slice3 + hex ( + elevenoclocksqb oneoclocksqb oneoclockcb elevenoclockcb + elevenoclocksqt oneoclocksqt oneoclockct elevenoclockct + ) + (NPS NPD NPY) +simpleGrading (1 1 1) + + //slice4 + hex ( + oneoclocksqb fiveoclocksqb fiveoclockcb oneoclockcb + oneoclocksqt fiveoclocksqt fiveoclockct oneoclockct + ) + (NPS NPD NPY) +simpleGrading (1 1 1) + + ); + + + //create the quarter circles + edges + ( + arc fiveoclockcb sevenoclockcb (0.0 0.0 R) + arc sevenoclockcb elevenoclockcb (-R 0.0 0.0) + arc elevenoclockcb oneoclockcb (0.0 0.0 -R) + arc oneoclockcb fiveoclockcb (R 0.0 0.0) + + arc fiveoclockct sevenoclockct (0.0 L R) + arc sevenoclockct elevenoclockct (-R L 0.0) + arc elevenoclockct oneoclockct (0.0 L -R) + arc oneoclockct fiveoclockct (R L 0.0) + + ); + + patches + ( + patch inlet + ( + (fiveoclocksqb oneoclocksqb elevenoclocksqb sevenoclocksqb) + (fiveoclocksqb fiveoclockcb oneoclockcb oneoclocksqb) + (fiveoclockcb fiveoclocksqb sevenoclocksqb sevenoclockcb) + (sevenoclocksqb elevenoclocksqb elevenoclockcb sevenoclockcb) + (oneoclocksqb oneoclockcb elevenoclockcb elevenoclocksqb) + ) + + patch outlet + ( + (fiveoclocksqt oneoclocksqt elevenoclocksqt sevenoclocksqt) + (fiveoclocksqt fiveoclockct oneoclockct oneoclocksqt) + (fiveoclockct fiveoclocksqt sevenoclocksqt sevenoclockct) + (sevenoclocksqt elevenoclocksqt elevenoclockct sevenoclockct) + (oneoclocksqt oneoclockct elevenoclockct elevenoclocksqt) + ) + + wall wall + ( + (sevenoclockcb fiveoclockcb fiveoclockct sevenoclockct) + (sevenoclockcb sevenoclockct elevenoclockct elevenoclockcb) + (elevenoclockcb elevenoclockct oneoclockct oneoclockcb) + (oneoclockcb oneoclockct fiveoclockct fiveoclockcb) + ) + +); + diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/thermophysicalProperties b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/thermophysicalProperties index 5b0734ff..7f498e00 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/thermophysicalProperties +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/thermophysicalProperties @@ -17,50 +17,21 @@ FoamFile thermoType { - type heRhoThermo; + type heRhoThermo; //hePsiThermo; // mixture reactingMixture; //species and reactions are listed in chemistry file - transport sutherland; //calcualtes viscosity as a function of temperature from Stuherland coefficient As and Ts - thermo janaf; - energy sensibleEnthalpy; //uses enthaly in the solution - equationOfState perfectGas; + transport const; //sutherland; //calcualtes viscosity as a function of temperature from Stuherland coefficient As and Ts + thermo hConst; //janaf; + equationOfState perfectGas; + energy sensibleInternalEnergy; //sensibleEnthalpy; //uses enthaly in the solution specie specie; } chemistryReader foamChemistryReader; -foamChemistryThermoFile "$FOAM_CASE/constant/foam.dat"; +foamChemistryThermoFile "$casePath/CFD/constant/foam.dat"; -foamChemistryFile "$FOAM_CASE/constant/foam.inp"; +foamChemistryFile "$casePath/CFD/constant/foam.inp"; inertSpecie N2; -/*liquids -{ - H2O - { - defaultCoeffs yes; - } -} - -solids -{ - C - { - defaultCoeffs no; - // if defaultCoeffs no properties should be : - CCoeffs - { - rho 2010; - Cp 710; - K 0.04; - Hf 0; - emissivity 1.0; - } - } - ash - { - defaultCoeffs yes; - } -} */ - // ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/transportProperties b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/transportProperties index 63d0caa2..66bf1c22 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/transportProperties +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/transportProperties @@ -19,9 +19,10 @@ transportModel Newtonian; nu nu [ 0 2 -1 0 0 0 0 ] 1.4117e-05; // kinematic viscosity of gas mixture -kf kf [ 1 1 -3 -1 0 0 0 ] 0; // comes from energy model +kf kf [ 1 1 -3 -1 0 0 0 ] 0.0507; // comes from energy model + +Cp Cp [ 0 2 -2 -1 0 0 0 ] 1118.15; // comes from energy model -Cp Cp [ 0 2 -2 -1 0 0 0 ] 1; // comes from energy model // ******* Non-Newtonian transport properties ************************ // /*CrossPowerLawCoeffs diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/system/controlDict b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/system/controlDict index 333928c6..128cc774 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/system/controlDict +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/system/controlDict @@ -19,23 +19,23 @@ application cfdemSolverRhoPimpleChem; startFrom startTime; -startTime 0; +startTime 0.0; stopAt endTime; -endTime 11000.0; +endTime 1200.0; deltaT 1; -writeControl runTime; +writeControl timeStep; -writeInterval 1000; +writeInterval 50; -purgeWrite 0; +purgeWrite 10; writeFormat ascii; -writePrecision 10; +writePrecision 6; writeCompression off; @@ -43,7 +43,7 @@ timeFormat general; timePrecision 6; -runTimeModifiable false; +runTimeModifiable true; adjustTimeStep no; @@ -53,62 +53,62 @@ maxDeltaT 0.1; // ************************************************************************* // -libs -( - "libfieldFunctionObjects.so" -); + libs ( + "libfieldFunctionObjects.so" + ); functions { moleFrac { - type rhoReactionThermoMoleFractions; - } - + type rhoReactionThermoMoleFractions; + } + probes1 { - type probes; - + type probes; functionObjectLibs ("libsampling.so"); - - name probes1; - - fields - ( - rho - p - T - N2 - CO2 - CO - H2 - H2O - X_CO - X_CO2 - X_H2 - X_N2 - X_H2O - ); - - writeControl timeStep; - writeInterval 10; - - // Locations to be probed - probeLocations - ( - (7.0 2.5 2.5) - (8.0 2.5 2.5) - (1.0 2.5 2.5) - ); - + #include "probesDict"; } - globalMassFrac + + fieldMinMax_T { + type fieldMinMax; + libs ("libfieldFunctionObjects.so"); + fields (T); + // Report the location of the field extrema + location yes; + // Type of extrema for rank > 0 primitives + mode magnitude; // magnitude | component + } + + fieldMinMax_Cpv + { + type fieldMinMax; + libs ("libfieldFunctionObjects.so"); + fields (Cpv); + // Report the location of the field extrema + location yes; + // Type of extrema for rank > 0 primitives + mode magnitude; // magnitude | component + } + + fieldMinMax_partTemp + { + type fieldMinMax; + libs ("libfieldFunctionObjects.so"); + fields (partTemp); + location yes; + mode magnitude; + } + + globalMassFrac + { type volRegion; libs ("libfieldFunctionObjects.so"); - writeControl timeStep;//outputTime; - writeInterval 1; + writeControl timeStep;//outputTime; + writeInterval 1; log true; writeFields false; regionType all; @@ -122,14 +122,14 @@ functions CO N2 H2O - ); - } + ); + } globalMass - { + { type volRegion; libs ("libfieldFunctionObjects.so"); - writeControl timeStep;//outputTime; + writeControl timeStep;//outputTime; writeInterval 1; log true; writeFields false; @@ -142,6 +142,6 @@ functions rho ); } -} +} // ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/system/controlDict_test b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/system/controlDict_test deleted file mode 100644 index 6c2d7fc9..00000000 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/system/controlDict_test +++ /dev/null @@ -1,147 +0,0 @@ -/*--------------------------------*- C++ -*----------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 2.3.0 | -| \\ / A nd | Web: www.OpenFOAM.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ -FoamFile -{ - version 2.0; - format ascii; - class dictionary; - location "system"; - object controlDict; -} -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -application cfdemSolverRhoPimpleChem; - -startFrom startTime; - -startTime 0; - -stopAt endTime; - -endTime 1500.0; - -deltaT 1; - -writeControl runTime; - -writeInterval 500; - -purgeWrite 0; - -writeFormat ascii; - -writePrecision 10; - -writeCompression off; - -timeFormat general; - -timePrecision 6; - -runTimeModifiable false; - -adjustTimeStep no; - -maxCo 0.5; - -maxDeltaT 0.1; - - -// ************************************************************************* // -libs -( - "libfieldFunctionObjects.so" -); - -functions -{ - moleFrac - { - type rhoReactionThermoMoleFractions; - } - - probes1 - { - type probes; - - functionObjectLibs ("libsampling.so"); - - name probes1; - - fields - ( - rho - p - T - N2 - CO2 - CO - H2 - H2O - X_CO - X_CO2 - X_H2 - X_N2 - X_H2O - ); - - writeControl timeStep; - writeInterval 10; - - // Locations to be probed - probeLocations - ( - (7.0 2.5 2.5) - (8.0 2.5 2.5) - (1.0 2.5 2.5) - ); - - } - - globalMassFrac - { - type volRegion; - libs ("libfieldFunctionObjects.so"); - writeControl timeStep;//outputTime; - writeInterval 1; - log true; - writeFields false; - regionType all; - name c0; - operation weightedVolAverage; - weightField rhoeps; - fields - ( - H2 - CO2 - CO - N2 - H2O - ); - } - - globalMass - { - type volRegion; - libs ("libfieldFunctionObjects.so"); - writeControl timeStep;//outputTime; - writeInterval 1; - log true; - writeFields false; - regionType all; - name c1; - operation volIntegrate; - fields - ( - rhoeps - rho - ); - } -} - -// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/system/fvOptions b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/system/fvOptions new file mode 100644 index 00000000..9536c869 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/system/fvOptions @@ -0,0 +1,30 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + location "system"; + object fvOptions; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // +limitedTemperature +{ + type limitTemperature; + active yes; + limitTemperatureCoeffs + { + active yes; + selectionMode all; + Tmin 1200; + Tmax 2500; + } +} + + diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/system/fvSchemes b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/system/fvSchemes index 4404d9c3..a819f794 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/system/fvSchemes +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/system/fvSchemes @@ -23,39 +23,54 @@ ddtSchemes gradSchemes { default Gauss linear; + grad(p) cellMDLimited leastSquares 0.5; + grad(U) cellMDLimited leastSquares 0.5; //cellLimited Gauss linear 1; // + grad(h) cellMDLimited leastSquares 0.5; + grad(e) cellMDLimited leastSquares 0.5; } divSchemes { - default none; + default Gauss linear; - div(phi,U) Gauss linear; //Gauss upwind; - div(phid,p) Gauss linear; //Gauss upwind; - div(phi,K) Gauss linear; - div(phi,h) Gauss upwind; - div(phi,k) Gauss upwind; - div(phi,epsilon) Gauss upwind; - div(U) Gauss linear; - div(phi,Yi_h) Gauss upwind; + div(phi,U) Gauss limitedLinear 1; //Gauss linear; //Gauss limitedLinear 1; // //Gauss limitedLinearV 1; // + div(phid,p) Gauss limitedLinear 1; //Gauss upwind; //Gauss limitedLinearV 1; + div(phi,K) Gauss limitedLinear 1; + div(phi,h) Gauss limitedLinear 1; //Gauss upwind; + div(phi,k) Gauss limitedLinear 1; //Gauss upwind; + div(phi,epsilon) Gauss limitedLinear 1; //Gauss upwind; + div(U) Gauss limitedLinear 1; + div(phi,Yi_h) Gauss multivariateSelection + { + CO limitedLinear01 1; + H2 limitedLinear01 1; + N2 limitedLinear01 1; + H2O limitedLinear01 1; + CO2 limitedLinear01 1; + h limitedLinear 1; + e limitedLinear 1; + } // div((muEff*dev2(T(grad(U))))) Gauss linear; div((viscousTerm*dev2(grad(U).T()))) Gauss linear; div((thermo:mu*dev(grad(U).T()))) Gauss linear; div((nuEff*dev2(T(grad(U))))) Gauss linear; + div(phi,T) Gauss limitedLinear 1; } laplacianSchemes { - default Gauss linear orthogonal; + default Gauss linear corrected; //Gauss linear orthogonal; } interpolationSchemes { default linear; + interpolate(U) linear; } snGradSchemes { - default orthogonal; + default corrected; //orthogonal; } fluxRequired diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/system/fvSolution b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/system/fvSolution index bce370f9..9976d4cd 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/system/fvSolution +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/system/fvSolution @@ -14,27 +14,15 @@ FoamFile object fvSolution; } // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - solvers { - "(rho|G)" + p { solver PCG; preconditioner DIC; - tolerance 1e-05; - relTol 0.1; - } - - "(rho|G)Final" - { - $rho; - tolerance 1e-05; - relTol 0; - } - - p - { - solver GAMG; + tolerance 1e-6; + relTol 0.01; + /*solver GAMG; tolerance 1e-06; relTol 0.01; smoother GaussSeidel; @@ -44,7 +32,7 @@ solvers cacheAgglomeration on; nCellsInCoarsestLevel 10; agglomerator faceAreaPair; - mergeLevels 1; + mergeLevels 1; */ } pFinal @@ -53,8 +41,28 @@ solvers tolerance 1e-06; relTol 0; } - - "(U|h|R|k|epsilon)" + + "(rho|G)" + { + solver PCG; + preconditioner DIC; + tolerance 1e-6; + relTol 0.01; + /*solver smoothSolver; + smoother symGaussSeidel; + tolerance 1e-6; + relTol 0.1; + nSweeps 3;*/ + } + + "(rho|G)Final" + { + $rho; + tolerance 1e-06; + relTol 0; + } + + "(U|h|e|R|k|epsilon)" { solver smoothSolver; smoother symGaussSeidel; @@ -62,48 +70,62 @@ solvers relTol 0.1; } - "(U|h|R|k|epsilon)Final" + "(U|h|e|R|k|epsilon)Final" { $U; tolerance 1e-05; relTol 0; } - - "(Yi|CO|CO2|H2|H2O)" + + "(Yi|CO|CO2|H2|H2O|N2)" { - $h; + solver smoothSolver; + smoother symGaussSeidel; + tolerance 1e-06; + relTol 0.01; + maxIter 100; } - "(Yi|CO|CO2|H2|H2O)Final" + "(Yi|CO|CO2|H2|H2O|N2)Final" { $Yi; tolerance 1e-06; relTol 0; + maxIter 100; + } + + T + { + solver PBiCG; + preconditioner DILU; + tolerance 1e-8; + relTol 0; } } PIMPLE { momentumPredictor yes; - nOuterCorrectors 2; - nCorrectors 1; + nOuterCorrectors 5; + nCorrectors 2; nNonOrthogonalCorrectors 0; - rhoMin rhoMin [ 1 -3 0 0 0 ] 0.2; - rhoMax rhoMax [ 1 -3 0 0 0 ] 2.5; + rhoMin rhoMin [ 1 -3 0 0 0 ] 0.4; + rhoMax rhoMax [ 1 -3 0 0 0 ] 2.0; } -/* relaxationFactors { fields { - ".*" 1; + T 0.5; + "(Yi|CO|CO2|H2|H2O|N2)" 0.6; + p 0.6; } equations { - ".*" 1; + ".*" 0.8; + "(h|e).*" 0.5; } } - // ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/system/probesDict b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/system/probesDict index a812824b..71cf7611 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/system/probesDict +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/system/probesDict @@ -21,7 +21,7 @@ fields rho p T - molC + Cpv N2 CO2 CO @@ -40,7 +40,7 @@ fields ); writeControl timeStep; -writeInterval 10; +writeInterval 50; // Locations to be probed. diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/DEM/in.liggghts_init b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/DEM/in.liggghts_init index 7c684b8c..30fee690 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/DEM/in.liggghts_init +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/DEM/in.liggghts_init @@ -41,7 +41,7 @@ fix zwalls2 all wall/gran model hertz tangential history primitive type 1 zp # create single particle in a specific spot create_atoms 1 single 0.75 0.25 0.25 units box -set atom 1 diameter 0.01106028 density 5135.2 vx 0 vy 0 vz 0 +set atom 1 diameter 0.01106028 density 4300 vx 0 vy 0 vz 0 # screen output compute rke all erotate/sphere @@ -52,7 +52,7 @@ compute_modify thermo_temp dynamic yes # insert the first particles so that dump is not empty run 1 -dump dmp all custom 100 post/dump.liggghts_init id type x y z vx vy vz fx fy fz omegax omegay omegaz radius +dump dmp all custom 100 post/dump.liggghts_init id type x y z vx vy vz fx fy fz radius mass -run 10000 upto -write_restart ../DEM/post/restart/liggghts.restart +run 10 upto +write_restart post/restart/liggghts.restart diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/DEM/in.liggghts_run b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/DEM/in.liggghts_run index cf228fe9..bee1df69 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/DEM/in.liggghts_run +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/DEM/in.liggghts_run @@ -1,4 +1,4 @@ -# single particle chemistry test case +# Pour granular particles into chute container, then induce flow log ../DEM/log.liggghts thermo_log ../DEM/post/thermo.txt @@ -16,7 +16,7 @@ processors 2 1 1 read_restart ../DEM/post/restart/liggghts.restart neighbor 0.0005 bin -neigh_modify delay 0 binsize 0.01 +neigh_modify delay 0 # Material properties required for granular pair styles @@ -30,8 +30,8 @@ pair_style gran model hertz tangential history # Hertzian without cohesion pair_coeff * * # timestep, gravity -timestep 1e-2 -fix gravi all gravity 0.0 vector 0.0 -1.0 0.0 +timestep 0.02 +fix gravi all gravity 9.81 vector 0.0 -1.0 0.0 # walls fix xwalls1 all wall/gran model hertz tangential history primitive type 1 xplane 0.0 @@ -41,136 +41,173 @@ fix ywalls2 all wall/gran model hertz tangential history primitive type 1 yp fix zwalls1 all wall/gran model hertz tangential history primitive type 1 zplane 0.0 fix zwalls2 all wall/gran model hertz tangential history primitive type 1 zplane 0.5 +# Thermal properties +fix ftco all property/global thermalConductivity peratomtype 1.4 +fix ftca all property/global thermalCapacity peratomtype 3000 + ############################################### # cfd coupling -fix cfd all couple/cfd couple_every 100 mpi +fix cfd all couple/cfd couple_every 50 mpi fix cfd2 all couple/cfd/force +# this one invokes heat transfer calculation, transfers per-particle temperature and adds convective heat flux to particles +fix tconv all couple/cfd/convection T0 1221 + # this should invoke chemistry fix cfd3 all couple/cfd/chemistry n_species 5 species_names H2 H2O CO CO2 N2 n_diff 2 diffusant_names CO H2 # Activate for 3-layer unreacted core shrink model -fix cfd5 all chem/shrink/core speciesA CO molMassA 0.02801 speciesC CO2 molMassC 0.04401 screen no nevery 1 -fix cfd6 all chem/shrink/core speciesA H2 molMassA 0.00202 speciesC H2O molMassC 0.01801 screen no nevery 1 -#0.34 -#0.06 - +fix cfd5 all chem/shrink/core speciesA CO molMassA 0.02801 speciesC CO2 molMassC 0.04401 scale_reduction_rate 10.0 screen yes +fix cfd6 all chem/shrink/core speciesA H2 molMassA 0.00202 speciesC H2O molMassC 0.01801 scale_reduction_rate 10.0 screen yes # Chemical properties for unreacted shrink core (activate only when chem/shrink/core is active) -fix k0_CO all property/global k0_cfd5 vector 17 25 2700 -fix Ea_CO all property/global Ea_cfd5 vector 69488 73674 113859 +fix k0_CO all property/atom k0_cfd5 vector yes no no 17 25 2700 +fix Ea_CO all property/atom Ea_cfd5 vector yes no no 69488 73674 113859 -fix k0_H2 all property/global k0_cfd6 vector 30 23 160 -fix Ea_H2 all property/global Ea_cfd6 vector 63627 71162 92092 +fix k0_H2 all property/atom k0_cfd6 vector yes no no 30 23 160 +fix Ea_H2 all property/atom Ea_cfd6 vector yes no no 63627 71162 92092 # particle porosity/tortuosity/pore diameter -fix porosity all property/atom porosity_ vector yes no no 0.598 0.2122 0.0399 0.02 -fix tortuosity all property/global tortuosity_ scalar 3 -fix pore_diameter all property/global pore_diameter_ scalar 1e-6 +fix porosity all property/atom porosity_ vector yes no no 0.65 0.31 0.16 0.15 +fix tortuosity all property/global tortuosity_ scalar 3 +fix pore_diameter all property/global pore_diameter_ scalar 7e-7 -# Material properties for unreacted chemical shrink core (activate only when chem/shrink/core is active) -fix density all property/global density_all vector 7870 5740 5170 5240 -fix molMass all property/global molMass_all vector 0.055845 0.071844 0.231532 0.1596882 +# define layer properties +fix LayerRelRadii all property/atom relRadii vector yes no no 1.0 0.998 0.995 0.98 -# define layer radius -fix layerRelRad all property/atom relRadii vector yes no no 1.0 0.998 0.995 0.98 +### define fix for mass layer - initial testing +fix LayerMasses all property/atom massLayer vector yes no no 0. 0. 0. 0. +fix LayerDennsities all property/atom density_all vector yes no no 7870. 5740. 5170. 5240. -# define fix for mass layer - initial testing -fix massLayer all property/atom massLayer vector no no no 0. 0. 0. 0. +## define fix for rho_eff and fracRed - initialize as zero +fix fracRed all property/atom fracRed_all vector yes no no 0. 0. 0. +fix rhoeff all property/atom rhoeff vector yes no no 0. 0. 0. 0. -## debug fixes ## -# fix to compute fracRed -fix fracRed all property/atom fracRed_all vector yes no no 0. 0. 0. -fix rhoeff all property/atom rhoeff vector yes no no 0. 0. 0. 0. +############### +# Write data into files for post-processing -# apply nve integration to all particles that are inserted as single particles -# fix integr all nve/sphere - -############################################### - -variable time equal step*dt +variable WI equal 10 +variable time equal time variable m1 equal mass[1] variable rp equal radius[1] variable rho1 equal mass[1]/((4/3)*PI*radius[1]*radius[1]*radius[1]) -fix printmass all print 1000 "${time} ${m1} ${rho1} ${rp}" file mass_rho_rad.txt title "#time mass rho rad_par" +fix printmass all print ${WI} "${time} ${m1} ${rho1} ${rp}" file mass_rho_rad.txt title "#time mass rho rad_par" + +# compute kinetic energy of particles to see if they are moving changing +compute KinEn all ke +variable ke_tot equal c_KinEn + +# print total kinetic energy +fix printCompute all print ${WI} "${time} ${ke_tot}" file printKE.txt title "#time ke_tot" + +compute Ea_CO all reduce sum f_Ea_CO[1] f_Ea_CO[2] f_Ea_CO[3] +fix Ea all ave/time 1 1 1 c_Ea_CO[1] c_Ea_CO[2] c_Ea_CO[3] +variable Ea1 equal f_Ea[1] +variable Ea2 equal f_Ea[2] +variable Ea3 equal f_Ea[3] + +compute k0CO all reduce sum f_k0_CO[1] f_k0_CO[2] f_k0_CO[3] +fix k0 all ave/time 1 1 1 c_k0CO[1] c_k0CO[2] c_k0CO[3] +variable k01 equal f_k0[1] +variable k02 equal f_k0[2] +variable k03 equal f_k0[3] + +fix printk0Ea all print ${WI} "${time} ${Ea1} ${Ea2} ${Ea3} ${k01} ${k02} ${k03}" file k0Ea.dat title "#time Ea1 Ea2 Ea3 k01 k02 k03" + +############### +# Print out values affecting chemical reduction into specified folder for given time +# Diffusion Coefficient for CO and H2 + +compute COdiff all reduce sum f_CO_diffCoeff +fix diffField_CO all ave/time 1 1 1 c_COdiff +variable CO_diffCo equal f_diffField_CO + +fix printDCoeff all print ${WI} "${time} ${CO_diffCo}" file DiffCoeff.dat title "#time CO_diffCoeff" + +############### +# Specific Resistance terms depending on reacting gases + +compute ACOd1 all reduce sum f_Aterm_cfd5[1] f_Aterm_cfd5[2] f_Aterm_cfd5[3] +fix ACOd1 all ave/time 1 1 1 c_ACOd1[1] c_ACOd1[2] c_ACOd1[3] +variable a_CO_1 equal f_ACOd1[1] +variable a_CO_2 equal f_ACOd1[2] +variable a_CO_3 equal f_ACOd1[3] + +compute BCOd1 all reduce sum f_Bterm_cfd5[1] f_Bterm_cfd5[2] f_Bterm_cfd5[3] +fix BCOd1 all ave/time 10 1 10 c_BCOd1[1] c_BCOd1[2] c_BCOd1[3] +variable b_CO_1 equal f_BCOd1[1] +variable b_CO_2 equal f_BCOd1[2] +variable b_CO_3 equal f_BCOd1[3] + +compute MCOd1 all reduce sum f_Massterm_cfd5 +fix MTCOd1 all ave/time 10 1 10 c_MCOd1 +variable mt_CO equal f_MTCOd1 + +fix printAterm all print ${WI} "${time} ${a_CO_1} ${a_CO_2} ${a_CO_3}" file Aterm.dat title "#time a_CO_1 aCO_2 a_CO_3" + +fix printBterm all print ${WI} "${time} ${b_CO_1} ${b_CO_2} ${b_CO_3}" file Bterm.dat title "#time b_CO_1 b_CO_2 b_CO_3" + +fix printMassTerm all print ${WI} "${time} ${mt_CO}" file MassTerm.dat title "#time mt_CO" + +# Print out fractional reduction for specific diameter ranges as well as total fractional reduction + +############### +# print out rate change of mass for gaseous reactant +compute dmdot all reduce sum f_dmA_cfd5[1] f_dmA_cfd5[2] f_dmA_cfd5[3] +fix dmA_val all ave/time 1 1 1 c_dmdot[1] c_dmdot[2] c_dmdot[3] +variable dmdot_1 equal f_dmA_val[1] +variable dmdot_2 equal f_dmA_val[2] +variable dmdot_3 equal f_dmA_val[3] + +fix printdmdot all print ${WI} "${time} ${dmdot_1} ${dmdot_2} ${dmdot_3}" file dmdot.dat title "#time dmdot_1 dmdot_2 dmdot_3" + +compute dmdot_H2 all reduce sum f_dmA_cfd6[1] f_dmA_cfd6[2] f_dmA_cfd6[3] +fix dmA_valH2 all ave/time 1 1 1 c_dmdot_H2[1] c_dmdot_H2[2] c_dmdot_H2[3] +variable dmdot_H2_1 equal f_dmA_valH2[1] +variable dmdot_H2_2 equal f_dmA_valH2[2] +variable dmdot_H2_3 equal f_dmA_valH2[3] + +fix printdmdotH2 all print ${WI} "${time} ${dmdot_H2_1} ${dmdot_H2_2} ${dmdot_H2_3}" file dmdotH2.dat title "#time dmdot_1 dmdot_2 dmdot_3" + +compute fr_1 all reduce sum f_fracRed[1] f_fracRed[2] f_fracRed[3] +fix fr_d1 all ave/time 1 1 1 c_fr_1[1] c_fr_1[2] c_fr_1[3] +variable fr_d1_1 equal f_fr_d1[1] +variable fr_d1_2 equal f_fr_d1[2] +variable fr_d1_3 equal f_fr_d1[3] + +# Calculate total fractional reduction to be written into the dump file for postProcessing/graphical representation +variable frOV_d1 equal 1/9*(f_fr_d1[3])+2/9*(f_fr_d1[2])+6/9*(f_fr_d1[1]) + +fix printfr1 all print ${WI} "${time} ${fr_d1_1} ${fr_d1_2} ${fr_d1_3} ${frOV_d1}" file fr_d1.dat title "#time fr_d1_1 fr_d1_2 fr_d1_3 fr_overall_d1" ############################################### ## Check Layer Radii and Write them to files ### -compute layerRad1 all reduce sum f_layerRelRad[1] -fix redRad1 all ave/time 1000 1 1000 c_layerRad1 file relRad1.dat +compute layerRad1 all reduce sum f_LayerRelRadii[1] +fix redRad1 all ave/time 1 1 1 c_layerRad1 +variable rr1 equal f_redRad1 -compute layerRad2 all reduce sum f_layerRelRad[2] -fix redRad2 all ave/time 1000 1 1000 c_layerRad2 file relRad2.dat +compute layerRad2 all reduce sum f_LayerRelRadii[2] +fix redRad2 all ave/time 1 1 1 c_layerRad2 +variable rr2 equal f_redRad2 -compute layerRad3 all reduce sum f_layerRelRad[3] -fix redRad3 all ave/time 1000 1 1000 c_layerRad3 file relRad3.dat +compute layerRad3 all reduce sum f_LayerRelRadii[3] +fix redRad3 all ave/time 1 1 1 c_layerRad3 +variable rr3 equal f_redRad3 -compute layerRad4 all reduce sum f_layerRelRad[4] -fix redRad4 all ave/time 1000 1 1000 c_layerRad4 file relRad4.dat +compute layerRad4 all reduce sum f_LayerRelRadii[4] +fix redRad4 all ave/time 1 1 1 c_layerRad4 +variable rr4 equal f_redRad4 -############################################### -#### Give information about resistance terms and molar fractions to specified files ### -compute Aterm_red all reduce sum f_Aterm_cfd5[1] f_Aterm_cfd5[2] f_Aterm_cfd5[3] -fix Aterm1 all ave/time 100 1 100 c_Aterm_red[1] c_Aterm_red[2] c_Aterm_red[3] -variable a1 equal f_Aterm1[1] -variable a2 equal f_Aterm1[2] -variable a3 equal f_Aterm1[3] +fix printRelRadii all print ${WI} "${time} ${rr1} ${rr2} ${rr3} ${rr4}" file relRadii.dat title "#time relRad_1 relRad_2 relRad_3 relRad_4" +############### -compute Bterm_red all reduce sum f_Bterm_cfd5[1] f_Bterm_cfd5[2] f_Bterm_cfd5[3] -fix Bterm1 all ave/time 100 1 100 c_Bterm_red[1] c_Bterm_red[2] c_Bterm_red[3] -variable b1 equal f_Bterm1[1] -variable b2 equal f_Bterm1[2] -variable b3 equal f_Bterm1[3] - -compute Massterm_red all reduce sum f_Massterm_cfd5 -fix Massterm1 all ave/time 100 1 100 c_Massterm_red -variable mt1 equal f_Massterm1 - -compute fracRedTerm all reduce sum f_fracRed[1] f_fracRed[2] f_fracRed[3] -fix fracRed1 all ave/time 100 1 100 c_fracRedTerm[1] c_fracRedTerm[2] c_fracRedTerm[3] -variable fr1 equal f_fracRed1[1] -variable fr2 equal f_fracRed1[2] -variable fr3 equal f_fracRed1[3] - -compute effDiffBinary_red all reduce sum f_effDiffBinary_cfd5[1] f_effDiffBinary_cfd5[2] f_effDiffBinary_cfd5[3] -fix effDiffBinary1 all ave/time 1000 1 1000 c_effDiffBinary_red[1] c_effDiffBinary_red[2] c_effDiffBinary_red[3] -variable dij1 equal f_effDiffBinary1[1] -variable dij2 equal f_effDiffBinary1[2] -variable dij3 equal f_effDiffBinary1[3] - -compute effDiffKnud_red all reduce sum f_effDiffKnud_cfd5[1] f_effDiffKnud_cfd5[2] f_effDiffKnud_cfd5[3] -fix effDiffKnud1 all ave/time 1000 1 1000 c_effDiffKnud_red[1] c_effDiffKnud_red[2] c_effDiffKnud_red[3] -variable dik1 equal f_effDiffKnud1[1] -variable dik2 equal f_effDiffKnud1[2] -variable dik3 equal f_effDiffKnud1[3] - -compute porosity_red all reduce sum f_porosity[1] f_porosity[2] f_porosity[3] f_porosity[4] -fix porosity1 all ave/time 1000 1 1000 c_porosity_red[1] c_porosity_red[2] c_porosity_red[3] c_porosity_red[4] -variable p1 equal f_porosity1[1] -variable p2 equal f_porosity1[2] -variable p3 equal f_porosity1[3] -variable p4 equal f_porosity1[4] - -compute mass_layer all reduce sum f_massLayer[1] f_massLayer[2] f_massLayer[3] f_massLayer[4] -fix massLayerPrintout all ave/time 100 1 100 c_mass_layer[1] c_mass_layer[2] c_mass_layer[3] c_mass_layer[4] -variable mL1 equal f_massLayerPrintout[1] -variable mL2 equal f_massLayerPrintout[2] -variable mL3 equal f_massLayerPrintout[3] -variable mL4 equal f_massLayerPrintout[4] - -fix printOutput all print 100 "${time} ${a1} ${a2} ${a3} ${b1} ${b2} ${b3} ${mt1} ${fr1} ${fr2} ${fr3}" file Output.dat title "#time a1 a2 a3 b1 b2 b3 mt1 fr1 fr2 fr3" -fix printDiffTerms all print 1000 "${time} ${dij1} ${dij2} ${dij3} ${dik1} ${dik2} ${dik3} ${p1} ${p2} ${p3} ${p4}" file DiffTerm.dat title "#time dij1 dij2 dij3 dik1 dik2 dik3 p_fe p_w p_m p_h" -fix printMassLayer all print 100 "${time} ${mL1} ${mL2} ${mL3} ${mL4}" file MassLayers.dat title "#time mL_Fe mL_w mL_m mL_h" - -############################################### # screen output compute rke all erotate/sphere thermo_style custom step atoms ke c_rke vol -thermo 1000 +thermo 10 thermo_modify lost ignore norm no compute_modify thermo_temp dynamic yes -dump dmp all custom 10000 ../DEM/post/dump.liggghts_run id type x y z vx vy vz fx fy fz omegax omegay omegaz radius - +dump dmp all custom 100 ../DEM/post/dump*.liggghts_run id type x y z vx vy vz fx fy fz radius mass f_fracRed[1] f_fracRed[2] f_fracRed[3] run 1 diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/DEM/post/restart/.gitignore b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/DEM/post/restart/.gitignore deleted file mode 100644 index e69de29b..00000000 diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/README b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/README new file mode 100644 index 00000000..edb774ab --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/README @@ -0,0 +1,5 @@ +NOTICE::VALIPOUR CORRELATION FOR KEQ + VALIPOUR VALUES FOR Ea + INCREASE DEM TS TO 0.01 + H2 REDUCTION IS ALSO CONSIDERED. + diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/parCFDDEMrun.sh b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/parCFDDEMrun.sh index 5e4a6a19..23dd0006 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/parCFDDEMrun.sh +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/parCFDDEMrun.sh @@ -1,8 +1,9 @@ #!/bin/bash #===================================================================# -# allrun script for single particle testcase -# M. Efe Kinaci - Sep 2018 +# allrun script for testcase as part of test routine +# run settlingTest CFD part +# Christoph Goniva - Feb. 2011 #===================================================================# #- source CFDEM env vars @@ -15,7 +16,7 @@ source $CFDEM_PROJECT_DIR/etc/functions.sh #- define variables casePath="$(dirname "$(readlink -f ${BASH_SOURCE[0]})")" logpath=$casePath -headerText="test_case_Valipour_2009" +headerText="GOD0k1H26pcnt" logfileName="log_$headerText" solverName="cfdemSolverRhoPimpleChem" nrProcs="2" @@ -23,7 +24,7 @@ machineFileName="none" # yourMachinefileName | none debugMode="off" # on | off| strict testHarnessPath="$CFDEM_TEST_HARNESS_PATH" runOctave="false" -postproc="true" +postproc="false" #--------------------------------------------------------------------------------# diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/parDEMrun.sh b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/parDEMrun.sh index c580f12e..3b9653f8 100755 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/parDEMrun.sh +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/parDEMrun.sh @@ -1,8 +1,9 @@ #!/bin/bash #===================================================================# -# DEMrun script for testcase -# M. Efe Kinaci - Sep 2018 +# DEMrun script for ErgunTestMPI testcase +# init ErgunTestMPI +# Christoph Goniva - July 2014 #===================================================================# #- source CFDEM env vars diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/postproc.sh b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/postproc.sh deleted file mode 100644 index 5960c13b..00000000 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/postproc.sh +++ /dev/null @@ -1,18 +0,0 @@ -#!/bin/bash - -#grep "dmB\[0]" log_test_case > dmB0.dat -#grep "dmB\[1]" log_test_case > dmB1.dat -#grep "dmB\[2]" log_test_case > dmB2.dat -#grep "dmB\[3]" log_test_case > dmB3.dat -#grep -n "pre-layerMass[0]:" log_3layerUnreactedShrinkingCore > pre_particle_mass0.dat -#grep -n "pre-layerMass[1]:" log_3layerUnreactedShrinkingCore > pre_particle_mass1.dat -#grep -n "pre-layerMass[2]:" log_3layerUnreactedShrinkingCore > pre_particle_mass2.dat -#grep -n "pre-layerMass[3]:" log_3layerUnreactedShrinkingCore > pre_particle_mass3.dat -grep -n "post-layerMass[0]:" log_test_case > post_particle_mass0.dat -grep -n "post-layerMass[1]:" log_test_case > post_particle_mass1.dat -grep -n "post-layerMass[2]:" log_test_case > post_particle_mass2.dat -grep -n "post-layerMass[3]:" log_test_case > post_particle_mass3.dat -#grep -n "x0_eq :" log_3layerUnreactedShrinkingCore > x0_eq_values.dat -#grep -n "x0_:" log_3layerUnreactedShrinkingCore > x0_values.dat -#grep -n "dY_" log_3layerUnreactedShrinkingCore > delta_reduction_rate.dat -#grep -n "dmA_" log_3layerUnreactedShrinkingCore > layer_mass_transfer.dat diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/postrun.sh b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/postrun.sh index 2a474cc3..06624406 100755 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/postrun.sh +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/postrun.sh @@ -1,2 +1,19 @@ #!/bin/bash -# nothing to see here \ No newline at end of file +#- source CFDEM env vars +. ~/.bashrc + +#- include functions +source $CFDEM_PROJECT_DIR/etc/functions.sh + +casePath="$(dirname "$(readlink -f ${BASH_SOURCE[0]})")" + +#- get VTK data from liggghts dump file +cd $casePath/DEM/post +python -i $CFDEM_LPP_DIR/lpp.py dump*.liggghts_run + +#- get VTK data from CFD sim +cd $casePath/CFD +reconstructPar +foamToVTK + + diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/prerun.sh b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/prerun.sh index bee37f2d..7b370ae7 100755 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/prerun.sh +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/prerun.sh @@ -10,8 +10,4 @@ else echo "mesh needs to be built" cd $casePath/CFD blockMesh -fi - -# adapt settings for test harness run -cp $casePath/CFD/system/controlDict_test $casePath/CFD/system/controlDict - +fi \ No newline at end of file diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/run.config b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/run.config index 17e0cac4..9091b486 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/run.config +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/run.config @@ -4,13 +4,12 @@ { "name" : "liggghts-init", "input_script" : "DEM/in.liggghts_init", - "type" : "liggghts/mpi", - "nprocs" : 2 + "type" : "liggghts/serial" }, { "name" : "cfdemrun", "depends_on" : "liggghts-init", - "solver" : "cfdemSolverRhoPimpleChem", + "solver" : "cfdemSolverPiso", "type" : "CFDEMcoupling/mpi", "nprocs" : 2, "pre_scripts" : ["prerun.sh"], From fbea5be83a8d618fed84215a7dd187cfd29a44e0 Mon Sep 17 00:00:00 2001 From: ekinaci Date: Wed, 18 Sep 2019 16:42:14 +0200 Subject: [PATCH 61/92] Add Case for GOD 0k1 33CO3 H2.. ..that works with the latest version of LIGGGHTS and CFDEMcoupling --- .../33CO3H2_Hematite/Allclean | 35 ++ .../33CO3H2_Hematite/Allrun.sh | 50 +++ .../33CO3H2_Hematite/CFD/0/CO | 52 +++ .../33CO3H2_Hematite/CFD/0/CO2 | 52 +++ .../33CO3H2_Hematite/CFD/0/H2 | 52 +++ .../33CO3H2_Hematite/CFD/0/H2O | 51 +++ .../33CO3H2_Hematite/CFD/0/Ksl | 51 +++ .../33CO3H2_Hematite/CFD/0/N2 | 52 +++ .../33CO3H2_Hematite/CFD/0/Qsource | 51 +++ .../33CO3H2_Hematite/CFD/0/T | 52 +++ .../33CO3H2_Hematite/CFD/0/U | 49 +++ .../33CO3H2_Hematite/CFD/0/Us | 48 +++ .../33CO3H2_Hematite/CFD/0/alphat | 47 +++ .../33CO3H2_Hematite/CFD/0/epsilon | 53 +++ .../33CO3H2_Hematite/CFD/0/k | 47 +++ .../33CO3H2_Hematite/CFD/0/mut | 48 +++ .../33CO3H2_Hematite/CFD/0/nut | 51 +++ .../33CO3H2_Hematite/CFD/0/p | 49 +++ .../33CO3H2_Hematite/CFD/0/p.org | 52 +++ .../33CO3H2_Hematite/CFD/0/rho | 50 +++ .../33CO3H2_Hematite/CFD/0/voidfraction | 51 +++ .../CFD/constant/chemistryProperties | 42 ++ .../CFD/constant/combustionProperties | 34 ++ .../CFD/constant/couplingProperties | 358 ++++++++++++++++++ .../33CO3H2_Hematite/CFD/constant/foam.dat | 111 ++++++ .../33CO3H2_Hematite/CFD/constant/foam.inp | 14 + .../33CO3H2_Hematite/CFD/constant/g | 22 ++ .../CFD/constant/liggghtsCommands | 43 +++ .../CFD/constant/polyMesh/.blockMeshDict.swp | Bin 0 -> 1024 bytes .../CFD/constant/polyMesh/blockMeshDict | 91 +++++ .../CFD/constant/polyMesh/cylinderMesh.m4 | 153 ++++++++ .../CFD/constant/thermophysicalProperties | 37 ++ .../CFD/constant/transportProperties | 44 +++ .../CFD/constant/turbulenceProperties | 20 + .../33CO3H2_Hematite/CFD/system/controlDict | 147 +++++++ .../CFD/system/decomposeParDict | 46 +++ .../33CO3H2_Hematite/CFD/system/fvOptions | 30 ++ .../33CO3H2_Hematite/CFD/system/fvSchemes | 83 ++++ .../33CO3H2_Hematite/CFD/system/fvSolution | 131 +++++++ .../33CO3H2_Hematite/CFD/system/probesDict | 54 +++ .../33CO3H2_Hematite/DEM/in.liggghts_init | 58 +++ .../33CO3H2_Hematite/DEM/in.liggghts_run | 213 +++++++++++ .../33CO3H2_Hematite/README | 5 + .../33CO3H2_Hematite/parCFDDEMrun.sh | 96 +++++ .../33CO3H2_Hematite/parDEMrun.sh | 30 ++ .../33CO3H2_Hematite/postrun.sh | 19 + .../33CO3H2_Hematite/prerun.sh | 13 + .../33CO3H2_Hematite/run.config | 19 + .../33CO3H2_Hematite/runTestCase | 19 + 49 files changed, 2975 insertions(+) create mode 100644 tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/Allclean create mode 100755 tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/Allrun.sh create mode 100644 tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/0/CO create mode 100644 tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/0/CO2 create mode 100644 tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/0/H2 create mode 100644 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a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/Allclean b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/Allclean new file mode 100644 index 00000000..a27b0fac --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/Allclean @@ -0,0 +1,35 @@ +#!/bin/sh +#cd ${0%/*} || exit 1 # run from this directory + +# Source tutorial run functions +. $WM_PROJECT_DIR/bin/tools/CleanFunctions +source $CFDEM_PROJECT_DIR/etc/functions.sh + +#- define variables +casePath="$(dirname "$(readlink -f ${BASH_SOURCE[0]})")" +cd $casePath/CFD +cleanCase +# rm $casePath/CFD/rmass*.dat +#rm $casePath/CFD/*.dat +#rm $casePath/CFD/*.txt +rm $casePath/log* +#rm $casePath/run_error.log +#cp -R 0/Org/p 0/p +#cp -R 0/Org/U 0/U +#cp -R 0/Org/Us 0/Us +#cp -R 0/Org/phiIB 0/phiIB +#cp -R 0/Org/voidfraction 0/voidfraction + +rm -R $casePath/DEM/post +mkdir $casePath/DEM/post +mkdir $casePath/DEM/post/restart +#cd $casePath/DEM/post/restart +#touch liggghts.restart + +## if postproc is activated (in fix_chem_shrink) +#rm $casePath/changeOfCO2 +#rm $casePath/changeOfO2 +#rm $casePath/rhogas_ +#rm $casePath/pmass_ + +# ----------------------------------------------------------------- end-of-file diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/Allrun.sh b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/Allrun.sh new file mode 100755 index 00000000..5c5cfbbc --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/Allrun.sh @@ -0,0 +1,50 @@ +#!/bin/bash + +#===================================================================# +# allrun script for testcase as part of test routine +# run settlingTest +# Christoph Goniva - Sept. 2010 +#===================================================================# + +#- source CFDEM env vars +. ~/.bashrc + +#- include functions +source $CFDEM_PROJECT_DIR/etc/functions.sh + +#- define variables +casePath="$(dirname "$(readlink -f ${BASH_SOURCE[0]})")" +export casePath + +#cd $casePath/CFD +#blockMesh + +#$casePath/parDEMrun.sh + +#bash $casePath/parCFDDEMrun.sh + +export casePath +# check if mesh was built +if [ -f "$casePath/CFD/constant/polyMesh/points" ]; then + echo "mesh was built before - using old mesh" +else + echo "mesh needs to be built" + cd $casePath/CFD + blockMesh +fi + +if [ -f "$casePath/DEM/post/restart/liggghts.restart" ]; then + echo "LIGGGHTS init was run before - using existing restart file" +else + #- run DEM in new terminal + $casePath/parDEMrun.sh +fi + +#echo "Run Simulation" +#cd $casePath/CFD +#decomposePar +#mpirun -np $nrProcs $solverName -parallel | tee -a $logfileName + +#- run parallel CFD-DEM in new terminal +#gnome-terminal -e "bash $casePath/parCFDDEMrun.sh" +bash $casePath/parCFDDEMrun.sh diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/0/CO b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/0/CO new file mode 100644 index 00000000..68972e76 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/0/CO @@ -0,0 +1,52 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + location "0"; + object CO; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [0 0 0 0 0 0 0]; + +internalField uniform 0.3316298524; + +boundaryField +{ + top + { + type zeroGradient; + } + + bottom + { + type zeroGradient; + } + + side-walls + { + type zeroGradient; + } + + inlet + { + type fixedValue; + value uniform 0.3316298524; + } + + outlet + { + type zeroGradient; + } +} + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/0/CO2 b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/0/CO2 new file mode 100644 index 00000000..463f032a --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/0/CO2 @@ -0,0 +1,52 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + location "0"; + object CO2; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [0 0 0 0 0 0 0]; + +internalField uniform 0.0631593903; // 4%; + +boundaryField +{ + top + { + type zeroGradient; + } + + bottom + { + type zeroGradient; + } + + side-walls + { + type zeroGradient; + } + + inlet + { + type fixedValue; + value uniform 0.0631593903; + } + + outlet + { + type zeroGradient; + } +} + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/0/H2 b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/0/H2 new file mode 100644 index 00000000..c17c6c21 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/0/H2 @@ -0,0 +1,52 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + location "0"; + object H2; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [0 0 0 0 0 0 0]; + +internalField uniform 0.0021741985; + +boundaryField +{ + top + { + type zeroGradient; + } + + bottom + { + type zeroGradient; + } + + side-walls + { + type zeroGradient; + } + + inlet + { + type fixedValue; + value uniform 0.0021741985; + } + + outlet + { + type zeroGradient; + } +} + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/0/H2O b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/0/H2O new file mode 100644 index 00000000..ca8df421 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/0/H2O @@ -0,0 +1,51 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + location "0"; + object H20; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [0 0 0 0 0 0 0]; + +internalField uniform 0.0; + +boundaryField +{ + top + { + type zeroGradient; + } + + bottom + { + type zeroGradient; + } + + side-walls + { + type zeroGradient; + } + + inlet + { + type zeroGradient; + } + + outlet + { + type zeroGradient; + } +} + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/0/Ksl b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/0/Ksl new file mode 100644 index 00000000..bc087769 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/0/Ksl @@ -0,0 +1,51 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 1.6 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + location "0"; + object Ksl; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [1 -3 -1 0 0 0 0]; + +internalField uniform 0.0; + +boundaryField +{ + top + { + type zeroGradient; + } + + bottom + { + type zeroGradient; + } + + side-walls + { + type zeroGradient; + } + + inlet + { + type zeroGradient; + } + + outlet + { + type zeroGradient; + } +} + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/0/N2 b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/0/N2 new file mode 100644 index 00000000..18e67099 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/0/N2 @@ -0,0 +1,52 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + location "0"; + object N2; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [0 0 0 0 0 0 0]; + +internalField uniform 0.6030365588; + +boundaryField +{ + top + { + type zeroGradient; + } + + bottom + { + type zeroGradient; + } + + side-walls + { + type zeroGradient; + } + + inlet + { + type fixedValue; + value uniform 0.6030365588; + } + + outlet + { + type zeroGradient; + } +} + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/0/Qsource b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/0/Qsource new file mode 100644 index 00000000..64313b48 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/0/Qsource @@ -0,0 +1,51 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + location "0"; + object Qsource; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [1 -1 -3 0 0 0 0]; + +internalField uniform 0; + +boundaryField +{ + top + { + type zeroGradient; + } + + bottom + { + type zeroGradient; + } + + side-walls + { + type zeroGradient; + } + + inlet + { + type zeroGradient; + } + + outlet + { + type zeroGradient; + } +} + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/0/T b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/0/T new file mode 100644 index 00000000..02b5cb3b --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/0/T @@ -0,0 +1,52 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + location "0"; + object T; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [0 0 0 1 0 0 0]; + +internalField uniform 1223.15; // 950 + 273.15 + +boundaryField +{ + top + { + type zeroGradient; + } + + bottom + { + type zeroGradient; + } + + side-walls + { + type zeroGradient; + } + + inlet + { + type fixedValue; + value uniform 1223.15; + } + + outlet + { + type zeroGradient; + } +} + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/0/U b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/0/U new file mode 100644 index 00000000..047777bd --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/0/U @@ -0,0 +1,49 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volVectorField; + location "0"; + object U; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [0 1 -1 0 0 0 0]; + +internalField uniform (0.011 0 0); + +boundaryField +{ + top + { + type zeroGradient; + } + bottom + { + type zeroGradient; + } + side-walls + { + type zeroGradient; + } + inlet + { + type fixedValue; + value uniform (0.011 0 0); + } + + outlet + { + type zeroGradient; + } +} + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/0/Us b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/0/Us new file mode 100644 index 00000000..a769f873 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/0/Us @@ -0,0 +1,48 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 1.6 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volVectorField; + location "0"; + object Us; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [0 1 -1 0 0 0 0]; + +internalField uniform (0 0 0); + +boundaryField +{ + top + { + type zeroGradient; + } + bottom + { + type zeroGradient; + } + side-walls + { + type zeroGradient; + } + + inlet + { + type zeroGradient; + } + + outlet + { + type zeroGradient; + } +} + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/0/alphat b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/0/alphat new file mode 100644 index 00000000..5176c807 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/0/alphat @@ -0,0 +1,47 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + location "0"; + object alphat; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [1 -1 -1 0 0 0 0]; + +internalField uniform 0; + +boundaryField +{ + top + { + type zeroGradient; + } + bottom + { + type zeroGradient; + } + side-walls + { + type zeroGradient; + } + inlet + { + type zeroGradient; + } + outlet + { + type zeroGradient; + } +} + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/0/epsilon b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/0/epsilon new file mode 100644 index 00000000..9810c397 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/0/epsilon @@ -0,0 +1,53 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + location "0"; + object epsilon; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [0 2 -3 0 0 0 0]; + +internalField uniform 0.003; + +boundaryField +{ + top + { + type zeroGradient; + } + bottom + { + type zeroGradient; + } + side-walls + { + type zeroGradient; + } + inlet + { + type zeroGradient; + // If turbulence is present + /* + * type compressible::turbulentMixingLengthDissipationRateInlet; + * mixingLength 0.005; + * value uniform 200; + */ + } + outlet + { + type zeroGradient; + } +} + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/0/k b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/0/k new file mode 100644 index 00000000..b076e39a --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/0/k @@ -0,0 +1,47 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + location "0"; + object k; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [0 2 -2 0 0 0 0]; + +internalField uniform 0.001; + +boundaryField +{ + top + { + type zeroGradient; + } + bottom + { + type zeroGradient; + } + side-walls + { + type zeroGradient; + } + inlet + { + type zeroGradient; + } + outlet + { + type zeroGradient; + } +} + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/0/mut b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/0/mut new file mode 100644 index 00000000..612df953 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/0/mut @@ -0,0 +1,48 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + location "0"; + object mut; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [1 -1 -1 0 0 0 0]; + +internalField uniform 0; + +boundaryField +{ + top + { + type zeroGradient; + } + bottom + { + type zeroGradient; + } + side-walls + { + type zeroGradient; + } + inlet + { + type zeroGradient; + } + + outlet + { + type zeroGradient; + } +} + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/0/nut b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/0/nut new file mode 100644 index 00000000..0027f055 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/0/nut @@ -0,0 +1,51 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 1.6 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + location "0"; + object nut; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [0 2 -1 0 0 0 0]; + +internalField uniform 0; + +boundaryField +{ + top + { + type zeroGradient; + } + + bottom + { + type zeroGradient; + } + + side-walls + { + type zeroGradient; + } + + inlet + { + type zeroGradient; + } + + outlet + { + type zeroGradient; + } +} + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/0/p b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/0/p new file mode 100644 index 00000000..4af5d3be --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/0/p @@ -0,0 +1,49 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + location "0"; + object p; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [1 -1 -2 0 0 0 0]; + +internalField uniform 101325; + +boundaryField +{ + top + { + type zeroGradient; + } + bottom + { + type zeroGradient; + } + side-walls + { + type zeroGradient; + } + inlet + { + type zeroGradient; + } + + outlet + { + type fixedValue; + value uniform 101325; + } +} + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/0/p.org b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/0/p.org new file mode 100644 index 00000000..af41df32 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/0/p.org @@ -0,0 +1,52 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + location "0"; + object p; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [1 -1 -2 0 0 0 0]; + +internalField uniform 101325; + +boundaryField +{ + top + { + type zeroGradient; + } + + bottom + { + type zeroGradient; + } + + side-walls + { + type zeroGradient; + } + + inlet + { + type zeroGradient; + } + + outlet + { + type fixedValue; + value uniform 101325; + } +} + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/0/rho b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/0/rho new file mode 100644 index 00000000..dafa6a48 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/0/rho @@ -0,0 +1,50 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 1.6 | +| \\ / A nd | Web: http://www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + object rho; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [1 -3 0 0 0 0 0]; + +internalField uniform 1.2415; // [for 33CO 3H2 4CO2 60N2]; + +boundaryField +{ + top + { + type zeroGradient; + } + + bottom + { + type zeroGradient; + } + + side-walls + { + type zeroGradient; + } + + inlet + { + type zeroGradient; + } + + outlet + { + type zeroGradient; + } +} + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/0/voidfraction b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/0/voidfraction new file mode 100644 index 00000000..3126fb49 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/0/voidfraction @@ -0,0 +1,51 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 1.6 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + location "0"; + object voidfraction; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [0 0 0 0 0 0 0]; + +internalField uniform 1; + +boundaryField +{ + top + { + type zeroGradient; + } + + bottom + { + type zeroGradient; + } + + side-walls + { + type zeroGradient; + } + + inlet + { + type fixedValue; + value $internalField; + } + + outlet + { + type zeroGradient; + } +} + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/constant/chemistryProperties b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/constant/chemistryProperties new file mode 100644 index 00000000..f95868bd --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/constant/chemistryProperties @@ -0,0 +1,42 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + location "constant"; + object chemistryProperties; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +chemistry off; //on; + +/* +chemistryType +{ + chemistrySolver ode; + chemistryThermo rho; +} + +initialChemicalTimeStep 1e-07; + +EulerImplicitCoeffs +{ + cTauChem 0.05; + equilibriumRateLimiter off; +} + +odeCoeffs +{ + solver seulex; + eps 0.05; +} */ + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/constant/combustionProperties b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/constant/combustionProperties new file mode 100644 index 00000000..487421c2 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/constant/combustionProperties @@ -0,0 +1,34 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + location "constant"; + object combustionProperties; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +combustionModel noCombustion; //PaSR; //PaSR; + +active false; //true; + +noCombustionCoeffs +{ +} + + +PaSRCoeffs +{ + Cmix 1.0; + turbulentReaction off; +} + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/constant/couplingProperties b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/constant/couplingProperties new file mode 100644 index 00000000..b3ae8975 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/constant/couplingProperties @@ -0,0 +1,358 @@ +/*---------------------------------------------------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 1.4 | +| \\ / A nd | Web: http://www.openfoam.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ + + +FoamFile +{ + version 2.0; + format ascii; + + root ""; + case ""; + instance ""; + local ""; + + class dictionary; + object couplingProperties; +} + +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +//===========================================================================// +// sub-models & settings + +modelType "A"; // A or B + +couplingInterval 50; + +voidFractionModel divided;//centre;// + +locateModel engine; //turboEngineM2M;// + +meshMotionModel noMeshMotion; + +regionModel allRegion; + +IOModel basicIO; + +probeModel off; + +dataExchangeModel twoWayMPI;//twoWayM2M;//twoWayFiles;//oneWayVTK;// + +averagingModel dilute; //dense;//// + +clockModel off;//standardClock;//off; + +smoothingModel off;// localPSizeDiffSmoothing;// constDiffSmoothing; // + +forceModels +( + GidaspowDrag + gradPForce + viscForce +); + +energyModels +( + heatTransferGunn + reactionHeat +); + +thermCondModel SyamlalThermCond; + +chemistryModels +( + species + diffusionCoefficients + massTransferCoeff + // off +); + +momCoupleModels +( + implicitCouple +); + +turbulenceModelType "turbulenceProperties";//"LESProperties";// + +//===========================================================================// +// sub-model properties +reactionHeatProps +{ + reactionHeatName "reactionHeat"; + verbose false; +} + +heatTransferGunnProps +{ + partTempName "Temp"; + partHeatFluxName "convectiveHeatFlux"; + calcPartTempField true; + partRefTemp 1223.15; + implicit true; + verbose false; + interpolation false; +} + +speciesProps +{ + ChemistryFile "$casePath/CFD/constant/foam.inp"; + Nevery 1; + verbose false; + interpolation false; +} + +diffusionCoefficientsProps +{ + verbose false; + interpolation false; + ChemistryFile "$casePath/CFD/constant/foam.inp"; + diffusantGasNames ( CO + H2 + ); +} + +massTransferCoeffProps +{ + verbose false; + interpolation false; +} + +reactantPerParticleProps +{ +} + + +SyamlalThermCondProps +{ + voidfractionFieldName "voidfraction"; + rhoFieldName "rho"; +} + +LaEuScalarTempProps +{ + velFieldName "U"; + tempFieldName "T"; + voidfractionFieldName "voidfraction"; + partTempName "Temp"; + partHeatFluxName "convectiveHeatFlux"; + lambda 0.0256; + Cp 1007; +} + +localPSizeDiffSmoothingProps +{ + lowerLimit 0.1; + upperLimit 1e10; + dSmoothingLength 1.5e-3; + Csmoothing 1.0; +} + +constDiffSmoothingProps +{ + lowerLimit 0.1; + upperLimit 1e10; + smoothingLength 1.5e-3; +} + +implicitCoupleProps +{ + velFieldName "U"; + granVelFieldName "Us"; + voidfractionFieldName "voidfraction"; +} + +ArchimedesProps +{ + gravityFieldName "g"; +} + +gradPForceProps +{ + pFieldName "p"; + voidfractionFieldName "voidfraction"; + velocityFieldName "U"; + interpolation true; +} + +viscForceProps +{ + velocityFieldName "U"; + interpolation true; +} + +volWeightedAverageProps +{ + scalarFieldNames + ( + voidfraction + ); + vectorFieldNames + ( + ); + upperThreshold 0.999; + lowerThreshold 0; + verbose true; +} + +totalMomentumExchangeProps +{ + implicitMomExFieldName "Ksl"; + explicitMomExFieldName "none"; + fluidVelFieldName "U"; + granVelFieldName "Us"; +} + +GidaspowDragProps +{ + verbose true; + velFieldName "U"; + granVelFieldName "Us"; + voidfractionFieldName "voidfraction"; + interpolation true; //interpolation is on + phi 1; + //implForceDEM true; + //implForceDEMaccumulated true; + //explicitCorr true; +} + +BeetstraDragProps +{ + velFieldName "U"; + granVelFieldName "Us"; + gravityFieldName "g"; + voidfractionFieldName "voidfraction"; + interpolation false; + useFilteredDragModel ; + useParcelSizeDependentFilteredDrag ; + rhoP 4630.; + dPrim 0.00022; + rho 1.58; + nuf 1.126e-05; + g 9.81; + k 0.05; + aLimit 0.0; + verbose false; +} + +DEMbasedDragProps +{ + velFieldName "U"; + voidfractionFieldName "voidfraction"; +} + +DiFeliceDragProps +{ + //verbose true; + velFieldName "U"; + voidfractionFieldName "voidfraction"; + granVelFieldName "Us"; + interpolation false; +} + +KochHillDragProps +{ + verbose true; + velFieldName "U"; + voidfractionFieldName "voidfraction"; + interpolation false; + //forceSubModels + //( + // ImExCorr + //); + implForceDEM true; + //implForceDEMaccumulated true; + //explicitCorr true; +} + +RongDragProps +{ + verbose true; + velFieldName "U"; + voidfractionFieldName "voidfraction"; + interpolation false; + implForceDEM true; + implForceDEMaccumulated true; + granVelFieldName "Us"; +} + +virtualMassForceProps +{ + velFieldName "U"; +} + +particleCellVolumeProps +{ + upperThreshold 0.999; + lowerThreshold 0.; + verbose true; +} + +fieldStoreProps +{ + scalarFieldNames + ( + ); + + vectorFieldNames + ( + "U" + ); +} + +oneWayVTKProps +{ + couplingFilename "vtk_out%4.4d.vtk"; + maxNumberOfParticles 30000; +} + +twoWayFilesProps +{ + maxNumberOfParticles 10100; +} + +centreProps +{ + alphaMin 0.1; +} + +engineProps +{ + treeSearch true; +} + +turboEngineProps +{ + treeSearch true; +} + +turboEngineM2MProps +{ + turboEngineProps + { + treeSearch true; + } +} + +dividedProps +{ + alphaMin 0.01; + scaleUpVol 1.0; +} + +twoWayMPIProps +{ + liggghtsPath "../DEM/in.liggghts_run"; +} + +twoWayM2MProps +{ + maxNumberOfParticles 10100; + liggghtsPath "../DEM/in.liggghts_run"; +} +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/constant/foam.dat b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/constant/foam.dat new file mode 100644 index 00000000..5191ec94 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/constant/foam.dat @@ -0,0 +1,111 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + location "constant"; + object foam.dat; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // +H2 +{ + specie + { + nMoles 1; + molWeight 2.02; + } + thermodynamics + { + Cp 15016.8; + Hf 2.544e+06; + } + transport + { + mu 8.42e-05; + Pr 0.76; + } +} +H2O +{ + specie + { + nMoles 1; + molWeight 18.015; + } + thermodynamics + { + Cp 2304.1; + Hf 2.544e+06; + } + transport + { + mu 1.7e-05; + Pr 0.99; + } +} + +CO +{ + specie + { + nMoles 1; + molWeight 28.01; + } + thermodynamics + { + Cp 1189.14; + Hf 2.544e+06; + } + transport + { + mu 1.66e-05; + Pr 0.792; + } +} + +CO2 +{ + specie + { + nMoles 1; + molWeight 44.01; + } + thermodynamics + { + Cp 1239.98; + Hf 2.544e+06; + } + transport + { + mu 1.37e-05; + Pr 0.69; + } +} + +N2 +{ + specie + { + nMoles 1; + molWeight 28.0134; + } + thermodynamics + { + Cp 1171.6; + Hf 2.544e+06; + } + transport + { + mu 1.66e-05; + Pr 0.69; + } +} + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/constant/foam.inp b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/constant/foam.inp new file mode 100644 index 00000000..3c6ddcd0 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/constant/foam.inp @@ -0,0 +1,14 @@ +species +( + H2 + H2O + CO + CO2 + N2 +); + +reactions +{ +} + + diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/constant/g b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/constant/g new file mode 100644 index 00000000..abca4e14 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/constant/g @@ -0,0 +1,22 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class uniformDimensionedVectorField; + location "constant"; + object g; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [0 1 -2 0 0 0 0]; +value ( 0 -9.81 0 ); + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/constant/liggghtsCommands b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/constant/liggghtsCommands new file mode 100644 index 00000000..ea16dec7 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/constant/liggghtsCommands @@ -0,0 +1,43 @@ +/*---------------------------------------------------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 1.4 | +| \\ / A nd | Web: http://www.openfoam.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ + + +FoamFile +{ + version 2.0; + format ascii; + + root ""; + case ""; + instance ""; + local ""; + + class dictionary; + object liggghtsCommands; +} + +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +liggghtsCommandModels +( + runLiggghts + writeLiggghts +); +// ************************************************************************* // + +/*runLiggghtsProps +{ + preNo false; +}*/ + +writeLiggghtsProps +{ + writeLast on; + writeName "post/restart/liggghts.restartCFDEM"; + overwrite on; +} diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/constant/polyMesh/.blockMeshDict.swp b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/constant/polyMesh/.blockMeshDict.swp new file mode 100644 index 0000000000000000000000000000000000000000..c91a9d3065beaa1787e5d817dab0093083017671 GIT binary patch literal 1024 zcmeH@!3x4K42E~}HN49jnLdG=-UdVQJi0F0vbHI0C-d!f>@tMCfGmgb^XDTZf3vsT z(l%p9mL;>=?2@EYmJ2mA7v#jHEru?VTY$bcNHPc$4f&-wms1ziJFV<9H9SQ0X~qt0 zfY?X!it7O4(W1GLexbigs+4gWbBP8j?xPYKYh~*b4dXTtWJBaOf+PJdF-T}MiEdPd S5^?#ub+RV#_X*s8Kl}ik6Ffcu literal 0 HcmV?d00001 diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/constant/polyMesh/blockMeshDict b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/constant/polyMesh/blockMeshDict new file mode 100644 index 00000000..024f6e99 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/constant/polyMesh/blockMeshDict @@ -0,0 +1,91 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + location "constant/polyMesh"; + object blockMeshDict; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +convertToMeters 1.0; + +vertices +( + (0 0 0) + (1.5 0 0) + (1.5 0.5 0) + (0 0.5 0) + (0 0 0.5) + (1.5 0 0.5) + (1.5 0.5 0.5) + (0 0.5 0.5) +); + +blocks +( + hex (0 1 2 3 4 5 6 7)(29 9 9) simpleGrading (1 1 1) + +); + +edges +( +); + +boundary +( + top + { + type wall; + faces + ( + (3 7 6 2) + ); + } + bottom + { + type wall; + faces + ( + (1 5 4 0) + ); + } + side-walls + { + type wall; + faces + ( + (0 3 2 1) + (4 5 6 7) + ); + } + inlet + { + type patch; + faces + ( + (0 4 7 3) + ); + } + outlet + { + type patch; + faces + ( + (2 6 5 1) + ); + } +); + +mergePatchPairs +( +); + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/constant/polyMesh/cylinderMesh.m4 b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/constant/polyMesh/cylinderMesh.m4 new file mode 100644 index 00000000..6df74167 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/constant/polyMesh/cylinderMesh.m4 @@ -0,0 +1,153 @@ +// blockMesh : Block mesh description file +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + location "constant/polyMesh"; + object blockMeshDict; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // +changecom(//)changequote([,]) +define(calc, [esyscmd(perl -e 'printf ($1)')]) +define(VCOUNT, 0) +define(vlabel, [[// ]Vertex $1 = VCOUNT define($1, VCOUNT)define([VCOUNT], incr(VCOUNT))]) + + + meshGenApp blockMesh; + convertToMeters 1; + + define(D, 0.075) //75 mm column diameter + define(L, 0.15) //150 mm length + define(PI, 3.14159265) + + define(R, calc(D/2)) + define(CW, calc(D/4)) //Width of middle square section + + define(CX, calc(R*cos((PI/180)*45))) + define(CZ, calc(R*sin((PI/180)*45))) + + define(NPS, 4) //how many cells in the square section + define(NPD, 2) //how many cells from square section to perimeter + define(NPY, 15) // how many cells from top to bottom + + vertices + ( + ( CW 0.0 CW) vlabel(fiveoclocksqb) + (-CW 0.0 CW) vlabel(sevenoclocksqb) + (-CW 0.0 -CW) vlabel(elevenoclocksqb) + ( CW 0.0 -CW) vlabel(oneoclocksqb) + + ( CX 0.0 CZ) vlabel(fiveoclockcb) + (-CX 0.0 CZ) vlabel(sevenoclockcb) + (-CX 0.0 -CZ) vlabel(elevenoclockcb) + ( CX 0.0 -CZ) vlabel(oneoclockcb) + + ( CW L CW) vlabel(fiveoclocksqt) + (-CW L CW) vlabel(sevenoclocksqt) + (-CW L -CW) vlabel(elevenoclocksqt) + ( CW L -CW) vlabel(oneoclocksqt) + + ( CX L CZ) vlabel(fiveoclockct) + (-CX L CZ) vlabel(sevenoclockct) + (-CX L -CZ) vlabel(elevenoclockct) + ( CX L -CZ) vlabel(oneoclockct) + ); + + blocks + ( + //square block + hex ( + sevenoclocksqb fiveoclocksqb oneoclocksqb elevenoclocksqb + sevenoclocksqt fiveoclocksqt oneoclocksqt elevenoclocksqt + ) + (NPS NPS NPY) + simpleGrading (1 1 1) + + //slice1 + hex ( + sevenoclockcb fiveoclockcb fiveoclocksqb sevenoclocksqb + sevenoclockct fiveoclockct fiveoclocksqt sevenoclocksqt + ) + (NPS NPD NPY) + simpleGrading (1 1 1) + + //slice2 + hex ( + sevenoclocksqb elevenoclocksqb elevenoclockcb sevenoclockcb + sevenoclocksqt elevenoclocksqt elevenoclockct sevenoclockct + ) + (NPS NPD NPY) +simpleGrading (1 1 1) + + //slice3 + hex ( + elevenoclocksqb oneoclocksqb oneoclockcb elevenoclockcb + elevenoclocksqt oneoclocksqt oneoclockct elevenoclockct + ) + (NPS NPD NPY) +simpleGrading (1 1 1) + + //slice4 + hex ( + oneoclocksqb fiveoclocksqb fiveoclockcb oneoclockcb + oneoclocksqt fiveoclocksqt fiveoclockct oneoclockct + ) + (NPS NPD NPY) +simpleGrading (1 1 1) + + ); + + + //create the quarter circles + edges + ( + arc fiveoclockcb sevenoclockcb (0.0 0.0 R) + arc sevenoclockcb elevenoclockcb (-R 0.0 0.0) + arc elevenoclockcb oneoclockcb (0.0 0.0 -R) + arc oneoclockcb fiveoclockcb (R 0.0 0.0) + + arc fiveoclockct sevenoclockct (0.0 L R) + arc sevenoclockct elevenoclockct (-R L 0.0) + arc elevenoclockct oneoclockct (0.0 L -R) + arc oneoclockct fiveoclockct (R L 0.0) + + ); + + patches + ( + patch inlet + ( + (fiveoclocksqb oneoclocksqb elevenoclocksqb sevenoclocksqb) + (fiveoclocksqb fiveoclockcb oneoclockcb oneoclocksqb) + (fiveoclockcb fiveoclocksqb sevenoclocksqb sevenoclockcb) + (sevenoclocksqb elevenoclocksqb elevenoclockcb sevenoclockcb) + (oneoclocksqb oneoclockcb elevenoclockcb elevenoclocksqb) + ) + + patch outlet + ( + (fiveoclocksqt oneoclocksqt elevenoclocksqt sevenoclocksqt) + (fiveoclocksqt fiveoclockct oneoclockct oneoclocksqt) + (fiveoclockct fiveoclocksqt sevenoclocksqt sevenoclockct) + (sevenoclocksqt elevenoclocksqt elevenoclockct sevenoclockct) + (oneoclocksqt oneoclockct elevenoclockct elevenoclocksqt) + ) + + wall wall + ( + (sevenoclockcb fiveoclockcb fiveoclockct sevenoclockct) + (sevenoclockcb sevenoclockct elevenoclockct elevenoclockcb) + (elevenoclockcb elevenoclockct oneoclockct oneoclockcb) + (oneoclockcb oneoclockct fiveoclockct fiveoclockcb) + ) + +); + diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/constant/thermophysicalProperties b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/constant/thermophysicalProperties new file mode 100644 index 00000000..7f498e00 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/constant/thermophysicalProperties @@ -0,0 +1,37 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + location "constant"; + object thermophysicalProperties; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +thermoType +{ + type heRhoThermo; //hePsiThermo; // + mixture reactingMixture; //species and reactions are listed in chemistry file + transport const; //sutherland; //calcualtes viscosity as a function of temperature from Stuherland coefficient As and Ts + thermo hConst; //janaf; + equationOfState perfectGas; + energy sensibleInternalEnergy; //sensibleEnthalpy; //uses enthaly in the solution + specie specie; +} + +chemistryReader foamChemistryReader; + +foamChemistryThermoFile "$casePath/CFD/constant/foam.dat"; + +foamChemistryFile "$casePath/CFD/constant/foam.inp"; + +inertSpecie N2; + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/constant/transportProperties b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/constant/transportProperties new file mode 100644 index 00000000..66bf1c22 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/constant/transportProperties @@ -0,0 +1,44 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 1.6 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + location "constant"; + object transportProperties; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +transportModel Newtonian; + +nu nu [ 0 2 -1 0 0 0 0 ] 1.4117e-05; // kinematic viscosity of gas mixture + +kf kf [ 1 1 -3 -1 0 0 0 ] 0.0507; // comes from energy model + +Cp Cp [ 0 2 -2 -1 0 0 0 ] 1118.15; // comes from energy model + + +// ******* Non-Newtonian transport properties ************************ // +/*CrossPowerLawCoeffs +{ + nu0 nu0 [ 0 2 -1 0 0 0 0 ] 1e-06; + nuInf nuInf [ 0 2 -1 0 0 0 0 ] 1e-06; + m m [ 0 0 1 0 0 0 0 ] 1; + n n [ 0 0 0 0 0 0 0 ] 1; +} + +BirdCarreauCoeffs +{ + nu0 nu0 [ 0 2 -1 0 0 0 0 ] 1e-06; + nuInf nuInf [ 0 2 -1 0 0 0 0 ] 1e-06; + k k [ 0 0 1 0 0 0 0 ] 0; + n n [ 0 0 0 0 0 0 0 ] 1; +} +*/ +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/constant/turbulenceProperties b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/constant/turbulenceProperties new file mode 100644 index 00000000..d1156961 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/constant/turbulenceProperties @@ -0,0 +1,20 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + location "constant"; + object turbulenceProperties; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +simulationType laminar; + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/system/controlDict b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/system/controlDict new file mode 100644 index 00000000..128cc774 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/system/controlDict @@ -0,0 +1,147 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + location "system"; + object controlDict; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +application cfdemSolverRhoPimpleChem; + +startFrom startTime; + +startTime 0.0; + +stopAt endTime; + +endTime 1200.0; + +deltaT 1; + +writeControl timeStep; + +writeInterval 50; + +purgeWrite 10; + +writeFormat ascii; + +writePrecision 6; + +writeCompression off; + +timeFormat general; + +timePrecision 6; + +runTimeModifiable true; + +adjustTimeStep no; + +maxCo 0.5; + +maxDeltaT 0.1; + + +// ************************************************************************* // + libs ( + "libfieldFunctionObjects.so" + ); + +functions +{ + moleFrac + { + type rhoReactionThermoMoleFractions; + } + + probes1 + { + type probes; + functionObjectLibs ("libsampling.so"); + #include "probesDict"; + } + + + fieldMinMax_T + { + type fieldMinMax; + libs ("libfieldFunctionObjects.so"); + fields (T); + // Report the location of the field extrema + location yes; + // Type of extrema for rank > 0 primitives + mode magnitude; // magnitude | component + } + + fieldMinMax_Cpv + { + type fieldMinMax; + libs ("libfieldFunctionObjects.so"); + fields (Cpv); + // Report the location of the field extrema + location yes; + // Type of extrema for rank > 0 primitives + mode magnitude; // magnitude | component + } + + fieldMinMax_partTemp + { + type fieldMinMax; + libs ("libfieldFunctionObjects.so"); + fields (partTemp); + location yes; + mode magnitude; + } + + globalMassFrac + { + type volRegion; + libs ("libfieldFunctionObjects.so"); + writeControl timeStep;//outputTime; + writeInterval 1; + log true; + writeFields false; + regionType all; + name c0; + operation weightedVolAverage; + weightField rhoeps; + fields + ( + H2 + CO2 + CO + N2 + H2O + ); + } + + globalMass + { + type volRegion; + libs ("libfieldFunctionObjects.so"); + writeControl timeStep;//outputTime; + writeInterval 1; + log true; + writeFields false; + regionType all; + name c1; + operation volIntegrate; + fields + ( + rhoeps + rho + ); + } +} + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/system/decomposeParDict b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/system/decomposeParDict new file mode 100644 index 00000000..c5dcd7c4 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/system/decomposeParDict @@ -0,0 +1,46 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + location "system"; + object decomposeParDict; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +numberOfSubdomains 2; + +//method scotch; +method simple; + +simpleCoeffs +{ + n (2 1 1); + delta 0.001; +} + +hierarchicalCoeffs +{ + n ( 1 1 1 ); + delta 0.001; + order xyz; +} + +manualCoeffs +{ + dataFile ""; +} + +distributed no; + +roots ( ); + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/system/fvOptions b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/system/fvOptions new file mode 100644 index 00000000..9536c869 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/system/fvOptions @@ -0,0 +1,30 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + location "system"; + object fvOptions; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // +limitedTemperature +{ + type limitTemperature; + active yes; + limitTemperatureCoeffs + { + active yes; + selectionMode all; + Tmin 1200; + Tmax 2500; + } +} + + diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/system/fvSchemes b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/system/fvSchemes new file mode 100644 index 00000000..a819f794 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/system/fvSchemes @@ -0,0 +1,83 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + location "system"; + object fvSchemes; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +ddtSchemes +{ + default Euler; +} + +gradSchemes +{ + default Gauss linear; + grad(p) cellMDLimited leastSquares 0.5; + grad(U) cellMDLimited leastSquares 0.5; //cellLimited Gauss linear 1; // + grad(h) cellMDLimited leastSquares 0.5; + grad(e) cellMDLimited leastSquares 0.5; +} + +divSchemes +{ + default Gauss linear; + + div(phi,U) Gauss limitedLinear 1; //Gauss linear; //Gauss limitedLinear 1; // //Gauss limitedLinearV 1; // + div(phid,p) Gauss limitedLinear 1; //Gauss upwind; //Gauss limitedLinearV 1; + div(phi,K) Gauss limitedLinear 1; + div(phi,h) Gauss limitedLinear 1; //Gauss upwind; + div(phi,k) Gauss limitedLinear 1; //Gauss upwind; + div(phi,epsilon) Gauss limitedLinear 1; //Gauss upwind; + div(U) Gauss limitedLinear 1; + div(phi,Yi_h) Gauss multivariateSelection + { + CO limitedLinear01 1; + H2 limitedLinear01 1; + N2 limitedLinear01 1; + H2O limitedLinear01 1; + CO2 limitedLinear01 1; + h limitedLinear 1; + e limitedLinear 1; + } + // div((muEff*dev2(T(grad(U))))) Gauss linear; + div((viscousTerm*dev2(grad(U).T()))) Gauss linear; + div((thermo:mu*dev(grad(U).T()))) Gauss linear; + div((nuEff*dev2(T(grad(U))))) Gauss linear; + div(phi,T) Gauss limitedLinear 1; +} + +laplacianSchemes +{ + default Gauss linear corrected; //Gauss linear orthogonal; +} + +interpolationSchemes +{ + default linear; + interpolate(U) linear; +} + +snGradSchemes +{ + default corrected; //orthogonal; +} + +fluxRequired +{ + default no; + p ; +} + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/system/fvSolution b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/system/fvSolution new file mode 100644 index 00000000..9976d4cd --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/system/fvSolution @@ -0,0 +1,131 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + location "system"; + object fvSolution; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // +solvers +{ + p + { + solver PCG; + preconditioner DIC; + tolerance 1e-6; + relTol 0.01; + /*solver GAMG; + tolerance 1e-06; + relTol 0.01; + smoother GaussSeidel; + nPreSweeps 0; + nPostSweeps 2; + nFinestSweeps 2; + cacheAgglomeration on; + nCellsInCoarsestLevel 10; + agglomerator faceAreaPair; + mergeLevels 1; */ + } + + pFinal + { + $p; + tolerance 1e-06; + relTol 0; + } + + "(rho|G)" + { + solver PCG; + preconditioner DIC; + tolerance 1e-6; + relTol 0.01; + /*solver smoothSolver; + smoother symGaussSeidel; + tolerance 1e-6; + relTol 0.1; + nSweeps 3;*/ + } + + "(rho|G)Final" + { + $rho; + tolerance 1e-06; + relTol 0; + } + + "(U|h|e|R|k|epsilon)" + { + solver smoothSolver; + smoother symGaussSeidel; + tolerance 1e-05; + relTol 0.1; + } + + "(U|h|e|R|k|epsilon)Final" + { + $U; + tolerance 1e-05; + relTol 0; + } + + "(Yi|CO|CO2|H2|H2O|N2)" + { + solver smoothSolver; + smoother symGaussSeidel; + tolerance 1e-06; + relTol 0.01; + maxIter 100; + } + + "(Yi|CO|CO2|H2|H2O|N2)Final" + { + $Yi; + tolerance 1e-06; + relTol 0; + maxIter 100; + } + + T + { + solver PBiCG; + preconditioner DILU; + tolerance 1e-8; + relTol 0; + } +} + +PIMPLE +{ + momentumPredictor yes; + nOuterCorrectors 5; + nCorrectors 2; + nNonOrthogonalCorrectors 0; + rhoMin rhoMin [ 1 -3 0 0 0 ] 0.4; + rhoMax rhoMax [ 1 -3 0 0 0 ] 2.0; +} + +relaxationFactors +{ + fields + { + T 0.5; + "(Yi|CO|CO2|H2|H2O|N2)" 0.6; + p 0.6; + } + equations + { + ".*" 0.8; + "(h|e).*" 0.5; + } +} + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/system/probesDict b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/system/probesDict new file mode 100644 index 00000000..71cf7611 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/system/probesDict @@ -0,0 +1,54 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \ / O peration | Version: 2.1.x | +| \ / A nd | Web: www.OpenFOAM.org | +| \/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + object probesDict; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + + + +fields +( + rho + p + T + Cpv + N2 + CO2 + CO + H2 + H2O + ModSpeciesMassField_N2 + ModSpeciesMassField_CO2 + ModSpeciesMassField_CO + ModSpeciesMassField_H2 + ModSpeciesMassField_H2O + X_CO + X_CO2 + X_H2 + X_N2 + X_H2O +); + +writeControl timeStep; +writeInterval 50; + + +// Locations to be probed. +probeLocations +( + (7.0 2.5 2.5) + (8.0 2.5 2.5) + (1.0 2.5 2.5) +); + +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/DEM/in.liggghts_init b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/DEM/in.liggghts_init new file mode 100644 index 00000000..30fee690 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/DEM/in.liggghts_init @@ -0,0 +1,58 @@ +# Particle insertion into domain +atom_style granular +atom_modify map array +echo both + +communicate single vel yes + +boundary f f f +newton off + +units si +processors 2 1 1 + +region reg block 0. 1.5 0. 0.5 0. 0.5 units box +create_box 1 reg + +neighbor 0.0005 bin +neigh_modify delay 0 + +# Material properties required for granular pair styles +fix m1 all property/global youngsModulus peratomtype 5.e6 +fix m2 all property/global poissonsRatio peratomtype 0.45 +fix m3 all property/global coefficientRestitution peratomtypepair 1 0.3 +fix m4 all property/global coefficientFriction peratomtypepair 1 0.5 + +# pair style +pair_style gran model hertz tangential history # Hertzian without cohesion +pair_coeff * * + +# timestep, gravity +timestep 1e-2 +fix gravi all gravity 0.0 vector 0.0 -1.0 0.0 + +# walls +fix xwalls1 all wall/gran model hertz tangential history primitive type 1 xplane 0.0 +fix xwalls2 all wall/gran model hertz tangential history primitive type 1 xplane 1.5 +fix ywalls1 all wall/gran model hertz tangential history primitive type 1 yplane 0.0 +fix ywalls2 all wall/gran model hertz tangential history primitive type 1 yplane 0.5 +fix zwalls1 all wall/gran model hertz tangential history primitive type 1 zplane 0.0 +fix zwalls2 all wall/gran model hertz tangential history primitive type 1 zplane 0.5 + +# create single particle in a specific spot +create_atoms 1 single 0.75 0.25 0.25 units box +set atom 1 diameter 0.01106028 density 4300 vx 0 vy 0 vz 0 + +# screen output +compute rke all erotate/sphere +thermo_style custom step atoms ke c_rke vol +thermo 1000 +thermo_modify lost ignore norm no +compute_modify thermo_temp dynamic yes + +# insert the first particles so that dump is not empty +run 1 +dump dmp all custom 100 post/dump.liggghts_init id type x y z vx vy vz fx fy fz radius mass + +run 10 upto +write_restart post/restart/liggghts.restart diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/DEM/in.liggghts_run b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/DEM/in.liggghts_run new file mode 100644 index 00000000..bee1df69 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/DEM/in.liggghts_run @@ -0,0 +1,213 @@ +# Pour granular particles into chute container, then induce flow +log ../DEM/log.liggghts +thermo_log ../DEM/post/thermo.txt + +atom_style granular +atom_modify map array +communicate single vel yes + +boundary f f f +newton off + +units si +processors 2 1 1 + +# read the restart file +read_restart ../DEM/post/restart/liggghts.restart + +neighbor 0.0005 bin +neigh_modify delay 0 + +# Material properties required for granular pair styles + +fix m1 all property/global youngsModulus peratomtype 5.e6 +fix m2 all property/global poissonsRatio peratomtype 0.45 +fix m3 all property/global coefficientRestitution peratomtypepair 1 0.3 +fix m4 all property/global coefficientFriction peratomtypepair 1 0.5 + +# pair style +pair_style gran model hertz tangential history # Hertzian without cohesion +pair_coeff * * + +# timestep, gravity +timestep 0.02 +fix gravi all gravity 9.81 vector 0.0 -1.0 0.0 + +# walls +fix xwalls1 all wall/gran model hertz tangential history primitive type 1 xplane 0.0 +fix xwalls2 all wall/gran model hertz tangential history primitive type 1 xplane 1.5 +fix ywalls1 all wall/gran model hertz tangential history primitive type 1 yplane 0.0 +fix ywalls2 all wall/gran model hertz tangential history primitive type 1 yplane 0.5 +fix zwalls1 all wall/gran model hertz tangential history primitive type 1 zplane 0.0 +fix zwalls2 all wall/gran model hertz tangential history primitive type 1 zplane 0.5 + +# Thermal properties +fix ftco all property/global thermalConductivity peratomtype 1.4 +fix ftca all property/global thermalCapacity peratomtype 3000 + +############################################### + +# cfd coupling +fix cfd all couple/cfd couple_every 50 mpi +fix cfd2 all couple/cfd/force + +# this one invokes heat transfer calculation, transfers per-particle temperature and adds convective heat flux to particles +fix tconv all couple/cfd/convection T0 1221 + +# this should invoke chemistry +fix cfd3 all couple/cfd/chemistry n_species 5 species_names H2 H2O CO CO2 N2 n_diff 2 diffusant_names CO H2 + +# Activate for 3-layer unreacted core shrink model +fix cfd5 all chem/shrink/core speciesA CO molMassA 0.02801 speciesC CO2 molMassC 0.04401 scale_reduction_rate 10.0 screen yes +fix cfd6 all chem/shrink/core speciesA H2 molMassA 0.00202 speciesC H2O molMassC 0.01801 scale_reduction_rate 10.0 screen yes + +# Chemical properties for unreacted shrink core (activate only when chem/shrink/core is active) +fix k0_CO all property/atom k0_cfd5 vector yes no no 17 25 2700 +fix Ea_CO all property/atom Ea_cfd5 vector yes no no 69488 73674 113859 + +fix k0_H2 all property/atom k0_cfd6 vector yes no no 30 23 160 +fix Ea_H2 all property/atom Ea_cfd6 vector yes no no 63627 71162 92092 + +# particle porosity/tortuosity/pore diameter +fix porosity all property/atom porosity_ vector yes no no 0.65 0.31 0.16 0.15 +fix tortuosity all property/global tortuosity_ scalar 3 +fix pore_diameter all property/global pore_diameter_ scalar 7e-7 + +# define layer properties +fix LayerRelRadii all property/atom relRadii vector yes no no 1.0 0.998 0.995 0.98 + +### define fix for mass layer - initial testing +fix LayerMasses all property/atom massLayer vector yes no no 0. 0. 0. 0. +fix LayerDennsities all property/atom density_all vector yes no no 7870. 5740. 5170. 5240. + +## define fix for rho_eff and fracRed - initialize as zero +fix fracRed all property/atom fracRed_all vector yes no no 0. 0. 0. +fix rhoeff all property/atom rhoeff vector yes no no 0. 0. 0. 0. + +############### +# Write data into files for post-processing + +variable WI equal 10 +variable time equal time +variable m1 equal mass[1] +variable rp equal radius[1] +variable rho1 equal mass[1]/((4/3)*PI*radius[1]*radius[1]*radius[1]) +fix printmass all print ${WI} "${time} ${m1} ${rho1} ${rp}" file mass_rho_rad.txt title "#time mass rho rad_par" + +# compute kinetic energy of particles to see if they are moving changing +compute KinEn all ke +variable ke_tot equal c_KinEn + +# print total kinetic energy +fix printCompute all print ${WI} "${time} ${ke_tot}" file printKE.txt title "#time ke_tot" + +compute Ea_CO all reduce sum f_Ea_CO[1] f_Ea_CO[2] f_Ea_CO[3] +fix Ea all ave/time 1 1 1 c_Ea_CO[1] c_Ea_CO[2] c_Ea_CO[3] +variable Ea1 equal f_Ea[1] +variable Ea2 equal f_Ea[2] +variable Ea3 equal f_Ea[3] + +compute k0CO all reduce sum f_k0_CO[1] f_k0_CO[2] f_k0_CO[3] +fix k0 all ave/time 1 1 1 c_k0CO[1] c_k0CO[2] c_k0CO[3] +variable k01 equal f_k0[1] +variable k02 equal f_k0[2] +variable k03 equal f_k0[3] + +fix printk0Ea all print ${WI} "${time} ${Ea1} ${Ea2} ${Ea3} ${k01} ${k02} ${k03}" file k0Ea.dat title "#time Ea1 Ea2 Ea3 k01 k02 k03" + +############### +# Print out values affecting chemical reduction into specified folder for given time +# Diffusion Coefficient for CO and H2 + +compute COdiff all reduce sum f_CO_diffCoeff +fix diffField_CO all ave/time 1 1 1 c_COdiff +variable CO_diffCo equal f_diffField_CO + +fix printDCoeff all print ${WI} "${time} ${CO_diffCo}" file DiffCoeff.dat title "#time CO_diffCoeff" + +############### +# Specific Resistance terms depending on reacting gases + +compute ACOd1 all reduce sum f_Aterm_cfd5[1] f_Aterm_cfd5[2] f_Aterm_cfd5[3] +fix ACOd1 all ave/time 1 1 1 c_ACOd1[1] c_ACOd1[2] c_ACOd1[3] +variable a_CO_1 equal f_ACOd1[1] +variable a_CO_2 equal f_ACOd1[2] +variable a_CO_3 equal f_ACOd1[3] + +compute BCOd1 all reduce sum f_Bterm_cfd5[1] f_Bterm_cfd5[2] f_Bterm_cfd5[3] +fix BCOd1 all ave/time 10 1 10 c_BCOd1[1] c_BCOd1[2] c_BCOd1[3] +variable b_CO_1 equal f_BCOd1[1] +variable b_CO_2 equal f_BCOd1[2] +variable b_CO_3 equal f_BCOd1[3] + +compute MCOd1 all reduce sum f_Massterm_cfd5 +fix MTCOd1 all ave/time 10 1 10 c_MCOd1 +variable mt_CO equal f_MTCOd1 + +fix printAterm all print ${WI} "${time} ${a_CO_1} ${a_CO_2} ${a_CO_3}" file Aterm.dat title "#time a_CO_1 aCO_2 a_CO_3" + +fix printBterm all print ${WI} "${time} ${b_CO_1} ${b_CO_2} ${b_CO_3}" file Bterm.dat title "#time b_CO_1 b_CO_2 b_CO_3" + +fix printMassTerm all print ${WI} "${time} ${mt_CO}" file MassTerm.dat title "#time mt_CO" + +# Print out fractional reduction for specific diameter ranges as well as total fractional reduction + +############### +# print out rate change of mass for gaseous reactant +compute dmdot all reduce sum f_dmA_cfd5[1] f_dmA_cfd5[2] f_dmA_cfd5[3] +fix dmA_val all ave/time 1 1 1 c_dmdot[1] c_dmdot[2] c_dmdot[3] +variable dmdot_1 equal f_dmA_val[1] +variable dmdot_2 equal f_dmA_val[2] +variable dmdot_3 equal f_dmA_val[3] + +fix printdmdot all print ${WI} "${time} ${dmdot_1} ${dmdot_2} ${dmdot_3}" file dmdot.dat title "#time dmdot_1 dmdot_2 dmdot_3" + +compute dmdot_H2 all reduce sum f_dmA_cfd6[1] f_dmA_cfd6[2] f_dmA_cfd6[3] +fix dmA_valH2 all ave/time 1 1 1 c_dmdot_H2[1] c_dmdot_H2[2] c_dmdot_H2[3] +variable dmdot_H2_1 equal f_dmA_valH2[1] +variable dmdot_H2_2 equal f_dmA_valH2[2] +variable dmdot_H2_3 equal f_dmA_valH2[3] + +fix printdmdotH2 all print ${WI} "${time} ${dmdot_H2_1} ${dmdot_H2_2} ${dmdot_H2_3}" file dmdotH2.dat title "#time dmdot_1 dmdot_2 dmdot_3" + +compute fr_1 all reduce sum f_fracRed[1] f_fracRed[2] f_fracRed[3] +fix fr_d1 all ave/time 1 1 1 c_fr_1[1] c_fr_1[2] c_fr_1[3] +variable fr_d1_1 equal f_fr_d1[1] +variable fr_d1_2 equal f_fr_d1[2] +variable fr_d1_3 equal f_fr_d1[3] + +# Calculate total fractional reduction to be written into the dump file for postProcessing/graphical representation +variable frOV_d1 equal 1/9*(f_fr_d1[3])+2/9*(f_fr_d1[2])+6/9*(f_fr_d1[1]) + +fix printfr1 all print ${WI} "${time} ${fr_d1_1} ${fr_d1_2} ${fr_d1_3} ${frOV_d1}" file fr_d1.dat title "#time fr_d1_1 fr_d1_2 fr_d1_3 fr_overall_d1" + +############################################### +## Check Layer Radii and Write them to files ### +compute layerRad1 all reduce sum f_LayerRelRadii[1] +fix redRad1 all ave/time 1 1 1 c_layerRad1 +variable rr1 equal f_redRad1 + +compute layerRad2 all reduce sum f_LayerRelRadii[2] +fix redRad2 all ave/time 1 1 1 c_layerRad2 +variable rr2 equal f_redRad2 + +compute layerRad3 all reduce sum f_LayerRelRadii[3] +fix redRad3 all ave/time 1 1 1 c_layerRad3 +variable rr3 equal f_redRad3 + +compute layerRad4 all reduce sum f_LayerRelRadii[4] +fix redRad4 all ave/time 1 1 1 c_layerRad4 +variable rr4 equal f_redRad4 + +fix printRelRadii all print ${WI} "${time} ${rr1} ${rr2} ${rr3} ${rr4}" file relRadii.dat title "#time relRad_1 relRad_2 relRad_3 relRad_4" +############### + +# screen output +compute rke all erotate/sphere +thermo_style custom step atoms ke c_rke vol +thermo 10 +thermo_modify lost ignore norm no +compute_modify thermo_temp dynamic yes + +dump dmp all custom 100 ../DEM/post/dump*.liggghts_run id type x y z vx vy vz fx fy fz radius mass f_fracRed[1] f_fracRed[2] f_fracRed[3] +run 1 diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/README b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/README new file mode 100644 index 00000000..edb774ab --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/README @@ -0,0 +1,5 @@ +NOTICE::VALIPOUR CORRELATION FOR KEQ + VALIPOUR VALUES FOR Ea + INCREASE DEM TS TO 0.01 + H2 REDUCTION IS ALSO CONSIDERED. + diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/parCFDDEMrun.sh b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/parCFDDEMrun.sh new file mode 100644 index 00000000..30038499 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/parCFDDEMrun.sh @@ -0,0 +1,96 @@ +#!/bin/bash + +#===================================================================# +# allrun script for testcase as part of test routine +# run settlingTest CFD part +# Christoph Goniva - Feb. 2011 +#===================================================================# + +#- source CFDEM env vars +. ~/.bashrc + +#- include functions +source $CFDEM_PROJECT_DIR/etc/functions.sh + +#--------------------------------------------------------------------------------# +#- define variables +casePath="$(dirname "$(readlink -f ${BASH_SOURCE[0]})")" +logpath=$casePath +headerText="GOD0k1H23pcnt" +logfileName="log_$headerText" +solverName="cfdemSolverRhoPimpleChem" +nrProcs="2" +machineFileName="none" # yourMachinefileName | none +debugMode="off" # on | off| strict +testHarnessPath="$CFDEM_TEST_HARNESS_PATH" +runOctave="false" +postproc="false" + +#--------------------------------------------------------------------------------# + +#- call function to run a parallel CFD-DEM case +parCFDDEMrun $logpath $logfileName $casePath $headerText $solverName $nrProcs $machineFileName $debugMode + + +if [ $runOctave == "true" ] + then + #------------------------------# + # octave + + #- change path + cd octave + + #- rmove old graph + rm cfdemSolverPiso_ErgunTestMPI.eps + + #- run octave + octave totalPressureDrop.m + + #- show plot + evince cfdemSolverPiso_ErgunTestMPI.eps + + #- copy log file to test harness + cp ../../$logfileName $testHarnessPath + cp cfdemSolverPiso_ErgunTestMPI.eps $testHarnessPath +fi + +if [ $postproc == "true" ] + then + + #- keep terminal open (if started in new terminal) + echo "simulation finished? ...press enter to proceed" + read + + #- get VTK data from liggghts dump file + cd $casePath/DEM/post + python -i $CFDEM_LPP_DIR/lpp.py dump*.liggghts_run + + #- get VTK data from CFD sim + cd $casePath/CFD + reconstructPar + foamToVTK #- serial run of foamToVTK + #source $CFDEM_SRC_DIR/lagrangian/cfdemParticle/etc/functions.sh #- include functions + #pseudoParallelRun "foamToVTK" $nrPostProcProcessors #- pseudo parallel run of foamToVTK + + #- start paraview + paraview + + #- keep terminal open (if started in new terminal) + echo "...press enter to clean up case" + echo "press Ctr+C to keep data" + read + +fi + +#- clean up case +#echo "deleting data at: $casePath :\n" +#source $WM_PROJECT_DIR/bin/tools/CleanFunctions +#cd $casePath/CFD +#cleanCase +#rm -r $casePath/CFD/clockData +#rm $casePath/DEM/post/*.* +#touch $casePath/DEM/post/.gitignore +#rm $casePath/DEM/post/restart/*.* +#rm $casePath/DEM/post/restart/liggghts.restartCFDEM* +#touch $casePath/DEM/post/restart/.gitignore +#echo "done" diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/parDEMrun.sh b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/parDEMrun.sh new file mode 100755 index 00000000..3b9653f8 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/parDEMrun.sh @@ -0,0 +1,30 @@ +#!/bin/bash + +#===================================================================# +# DEMrun script for ErgunTestMPI testcase +# init ErgunTestMPI +# Christoph Goniva - July 2014 +#===================================================================# + +#- source CFDEM env vars +. ~/.bashrc + +#- include functions +source $CFDEM_PROJECT_DIR/etc/functions.sh + +echo "starting DEM run in parallel..." +#--------------------------------------------------------------------------------# +#- define variables +casePath="$(dirname "$(readlink -f ${BASH_SOURCE[0]})")" +logpath="$casePath" +headerText="run_liggghts_init_DEM" +logfileName="log_$headerText" +solverName="in.liggghts_init" +nrProcs=2 +machineFileName="none" +debugMode="off" +#--------------------------------------------------------------------------------# + +#- call function to run DEM case +parDEMrun $logpath $logfileName $casePath $headerText $solverName $nrProcs $machineFileName $debugMode + diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/postrun.sh b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/postrun.sh new file mode 100755 index 00000000..06624406 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/postrun.sh @@ -0,0 +1,19 @@ +#!/bin/bash +#- source CFDEM env vars +. ~/.bashrc + +#- include functions +source $CFDEM_PROJECT_DIR/etc/functions.sh + +casePath="$(dirname "$(readlink -f ${BASH_SOURCE[0]})")" + +#- get VTK data from liggghts dump file +cd $casePath/DEM/post +python -i $CFDEM_LPP_DIR/lpp.py dump*.liggghts_run + +#- get VTK data from CFD sim +cd $casePath/CFD +reconstructPar +foamToVTK + + diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/prerun.sh b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/prerun.sh new file mode 100755 index 00000000..7b370ae7 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/prerun.sh @@ -0,0 +1,13 @@ +#!/bin/bash + +#- define variables +casePath="$(dirname "$(readlink -f ${BASH_SOURCE[0]})")" + +# check if mesh was built +if [ -f "$casePath/CFD/constant/polyMesh/boundary" ]; then + echo "mesh was built before - using old mesh" +else + echo "mesh needs to be built" + cd $casePath/CFD + blockMesh +fi \ No newline at end of file diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/run.config b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/run.config new file mode 100644 index 00000000..9091b486 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/run.config @@ -0,0 +1,19 @@ +{ + "type" : "CFDEMcoupling", + "runs" : [ + { + "name" : "liggghts-init", + "input_script" : "DEM/in.liggghts_init", + "type" : "liggghts/serial" + }, + { + "name" : "cfdemrun", + "depends_on" : "liggghts-init", + "solver" : "cfdemSolverPiso", + "type" : "CFDEMcoupling/mpi", + "nprocs" : 2, + "pre_scripts" : ["prerun.sh"], + "post_scripts" : ["postrun.sh"] + } + ] +} diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/runTestCase b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/runTestCase new file mode 100644 index 00000000..cf006228 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/runTestCase @@ -0,0 +1,19 @@ +#!/bin/bash +#PBS -o fb.out +#PBS -V +#PBS -k oe +#PBS -j oe +#PBS -l nodes=1:ppn=4 +#PBS -l walltime=24:00:00 +#PBS -m ae +#PBS -M mustafa_efe.kinaci@jku.at + +source ~/.bashrc +source /apps/openfoam-4.0/OpenFOAM-4.x-version-4.0/etc/bashrc +source $HOME/CFDEM/CFDEMcoupling/etc/bashrc +module add icc gcc + +caseDir=$HOME/CFDEM/CFDEMcoupling/tutorials/cfdemSolverRhoPimpleChem/test_case +cd $caseDir + +./Allrun.sh From 939429d341ba322fbc16d37dfdbcb3076d522729 Mon Sep 17 00:00:00 2001 From: ekinaci Date: Wed, 18 Sep 2019 16:43:11 +0200 Subject: [PATCH 62/92] Add Case for GOD0k1 --- .../GOD0k1_Hematite/Allclean | 35 ++ .../GOD0k1_Hematite/Allrun.sh | 50 +++ .../GOD0k1_Hematite/CFD/0/CO | 52 +++ .../GOD0k1_Hematite/CFD/0/CO2 | 51 +++ .../GOD0k1_Hematite/CFD/0/Ksl | 51 +++ .../GOD0k1_Hematite/CFD/0/N2 | 52 +++ .../GOD0k1_Hematite/CFD/0/Qsource | 51 +++ .../GOD0k1_Hematite/CFD/0/T | 52 +++ 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tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/system/fvSolution create mode 100644 tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/system/probesDict create mode 100644 tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/DEM/.in.liggghts_run.swo create mode 100644 tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/DEM/.in.liggghts_run.swp create mode 100644 tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/DEM/in.liggghts_init create mode 100644 tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/DEM/in.liggghts_run create mode 100644 tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/parCFDDEMrun.sh create mode 100755 tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/parDEMrun.sh create mode 100755 tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/postrun.sh create mode 100755 tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/prerun.sh create mode 100644 tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/run.config diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/Allclean b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/Allclean new file mode 100644 index 00000000..a27b0fac --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/Allclean @@ -0,0 +1,35 @@ +#!/bin/sh +#cd ${0%/*} || exit 1 # run from this directory + +# Source tutorial run functions +. $WM_PROJECT_DIR/bin/tools/CleanFunctions +source $CFDEM_PROJECT_DIR/etc/functions.sh + +#- define variables +casePath="$(dirname "$(readlink -f ${BASH_SOURCE[0]})")" +cd $casePath/CFD +cleanCase +# rm $casePath/CFD/rmass*.dat +#rm $casePath/CFD/*.dat +#rm $casePath/CFD/*.txt +rm $casePath/log* +#rm $casePath/run_error.log +#cp -R 0/Org/p 0/p +#cp -R 0/Org/U 0/U +#cp -R 0/Org/Us 0/Us +#cp -R 0/Org/phiIB 0/phiIB +#cp -R 0/Org/voidfraction 0/voidfraction + +rm -R $casePath/DEM/post +mkdir $casePath/DEM/post +mkdir $casePath/DEM/post/restart +#cd $casePath/DEM/post/restart +#touch liggghts.restart + +## if postproc is activated (in fix_chem_shrink) +#rm $casePath/changeOfCO2 +#rm $casePath/changeOfO2 +#rm $casePath/rhogas_ +#rm $casePath/pmass_ + +# ----------------------------------------------------------------- end-of-file diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/Allrun.sh b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/Allrun.sh new file mode 100755 index 00000000..5c5cfbbc --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/Allrun.sh @@ -0,0 +1,50 @@ +#!/bin/bash + +#===================================================================# +# allrun script for testcase as part of test routine +# run settlingTest +# Christoph Goniva - Sept. 2010 +#===================================================================# + +#- source CFDEM env vars +. ~/.bashrc + +#- include functions +source $CFDEM_PROJECT_DIR/etc/functions.sh + +#- define variables +casePath="$(dirname "$(readlink -f ${BASH_SOURCE[0]})")" +export casePath + +#cd $casePath/CFD +#blockMesh + +#$casePath/parDEMrun.sh + +#bash $casePath/parCFDDEMrun.sh + +export casePath +# check if mesh was built +if [ -f "$casePath/CFD/constant/polyMesh/points" ]; then + echo "mesh was built before - using old mesh" +else + echo "mesh needs to be built" + cd $casePath/CFD + blockMesh +fi + +if [ -f "$casePath/DEM/post/restart/liggghts.restart" ]; then + echo "LIGGGHTS init was run before - using existing restart file" +else + #- run DEM in new terminal + $casePath/parDEMrun.sh +fi + +#echo "Run Simulation" +#cd $casePath/CFD +#decomposePar +#mpirun -np $nrProcs $solverName -parallel | tee -a $logfileName + +#- run parallel CFD-DEM in new terminal +#gnome-terminal -e "bash $casePath/parCFDDEMrun.sh" +bash $casePath/parCFDDEMrun.sh diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/0/CO b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/0/CO new file mode 100644 index 00000000..c400c817 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/0/CO @@ -0,0 +1,52 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + location "0"; + object CO; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [0 0 0 0 0 0 0]; + +internalField uniform 0.351; + +boundaryField +{ + top + { + type zeroGradient; + } + + bottom + { + type zeroGradient; + } + + side-walls + { + type zeroGradient; + } + + inlet + { + type fixedValue; + value uniform 0.351; + } + + outlet + { + type zeroGradient; + } +} + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/0/CO2 b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/0/CO2 new file mode 100644 index 00000000..a4dc6d19 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/0/CO2 @@ -0,0 +1,51 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + location "0"; + object CO2; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [0 0 0 0 0 0 0]; + +internalField uniform 0.00614; + +boundaryField +{ + top + { + type zeroGradient; + } + + bottom + { + type zeroGradient; + } + + side-walls + { + type zeroGradient; + } + + inlet + { + type zeroGradient; + } + + outlet + { + type zeroGradient; + } +} + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/0/Ksl b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/0/Ksl new file mode 100644 index 00000000..bc087769 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/0/Ksl @@ -0,0 +1,51 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 1.6 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + location "0"; + object Ksl; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [1 -3 -1 0 0 0 0]; + +internalField uniform 0.0; + +boundaryField +{ + top + { + type zeroGradient; + } + + bottom + { + type zeroGradient; + } + + side-walls + { + type zeroGradient; + } + + inlet + { + type zeroGradient; + } + + outlet + { + type zeroGradient; + } +} + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/0/N2 b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/0/N2 new file mode 100644 index 00000000..ba7b0bd9 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/0/N2 @@ -0,0 +1,52 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + location "0"; + object N2; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [0 0 0 0 0 0 0]; + +internalField uniform 0.5865; + +boundaryField +{ + top + { + type zeroGradient; + } + + bottom + { + type zeroGradient; + } + + side-walls + { + type zeroGradient; + } + + inlet + { + type fixedValue; + value uniform 0.5865; + } + + outlet + { + type zeroGradient; + } +} + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/0/Qsource b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/0/Qsource new file mode 100644 index 00000000..64313b48 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/0/Qsource @@ -0,0 +1,51 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + location "0"; + object Qsource; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [1 -1 -3 0 0 0 0]; + +internalField uniform 0; + +boundaryField +{ + top + { + type zeroGradient; + } + + bottom + { + type zeroGradient; + } + + side-walls + { + type zeroGradient; + } + + inlet + { + type zeroGradient; + } + + outlet + { + type zeroGradient; + } +} + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/0/T b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/0/T new file mode 100644 index 00000000..02b5cb3b --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/0/T @@ -0,0 +1,52 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + location "0"; + object T; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [0 0 0 1 0 0 0]; + +internalField uniform 1223.15; // 950 + 273.15 + +boundaryField +{ + top + { + type zeroGradient; + } + + bottom + { + type zeroGradient; + } + + side-walls + { + type zeroGradient; + } + + inlet + { + type fixedValue; + value uniform 1223.15; + } + + outlet + { + type zeroGradient; + } +} + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/0/U b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/0/U new file mode 100644 index 00000000..047777bd --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/0/U @@ -0,0 +1,49 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volVectorField; + location "0"; + object U; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [0 1 -1 0 0 0 0]; + +internalField uniform (0.011 0 0); + +boundaryField +{ + top + { + type zeroGradient; + } + bottom + { + type zeroGradient; + } + side-walls + { + type zeroGradient; + } + inlet + { + type fixedValue; + value uniform (0.011 0 0); + } + + outlet + { + type zeroGradient; + } +} + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/0/Us b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/0/Us new file mode 100644 index 00000000..a769f873 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/0/Us @@ -0,0 +1,48 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 1.6 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volVectorField; + location "0"; + object Us; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [0 1 -1 0 0 0 0]; + +internalField uniform (0 0 0); + +boundaryField +{ + top + { + type zeroGradient; + } + bottom + { + type zeroGradient; + } + side-walls + { + type zeroGradient; + } + + inlet + { + type zeroGradient; + } + + outlet + { + type zeroGradient; + } +} + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/0/alphat b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/0/alphat new file mode 100644 index 00000000..5176c807 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/0/alphat @@ -0,0 +1,47 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + location "0"; + object alphat; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [1 -1 -1 0 0 0 0]; + +internalField uniform 0; + +boundaryField +{ + top + { + type zeroGradient; + } + bottom + { + type zeroGradient; + } + side-walls + { + type zeroGradient; + } + inlet + { + type zeroGradient; + } + outlet + { + type zeroGradient; + } +} + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/0/epsilon b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/0/epsilon new file mode 100644 index 00000000..9810c397 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/0/epsilon @@ -0,0 +1,53 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + location "0"; + object epsilon; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [0 2 -3 0 0 0 0]; + +internalField uniform 0.003; + +boundaryField +{ + top + { + type zeroGradient; + } + bottom + { + type zeroGradient; + } + side-walls + { + type zeroGradient; + } + inlet + { + type zeroGradient; + // If turbulence is present + /* + * type compressible::turbulentMixingLengthDissipationRateInlet; + * mixingLength 0.005; + * value uniform 200; + */ + } + outlet + { + type zeroGradient; + } +} + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/0/k b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/0/k new file mode 100644 index 00000000..b076e39a --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/0/k @@ -0,0 +1,47 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + location "0"; + object k; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [0 2 -2 0 0 0 0]; + +internalField uniform 0.001; + +boundaryField +{ + top + { + type zeroGradient; + } + bottom + { + type zeroGradient; + } + side-walls + { + type zeroGradient; + } + inlet + { + type zeroGradient; + } + outlet + { + type zeroGradient; + } +} + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/0/mut b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/0/mut new file mode 100644 index 00000000..612df953 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/0/mut @@ -0,0 +1,48 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + location "0"; + object mut; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [1 -1 -1 0 0 0 0]; + +internalField uniform 0; + +boundaryField +{ + top + { + type zeroGradient; + } + bottom + { + type zeroGradient; + } + side-walls + { + type zeroGradient; + } + inlet + { + type zeroGradient; + } + + outlet + { + type zeroGradient; + } +} + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/0/nut b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/0/nut new file mode 100644 index 00000000..0027f055 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/0/nut @@ -0,0 +1,51 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 1.6 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + location "0"; + object nut; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [0 2 -1 0 0 0 0]; + +internalField uniform 0; + +boundaryField +{ + top + { + type zeroGradient; + } + + bottom + { + type zeroGradient; + } + + side-walls + { + type zeroGradient; + } + + inlet + { + type zeroGradient; + } + + outlet + { + type zeroGradient; + } +} + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/0/p b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/0/p new file mode 100644 index 00000000..4af5d3be --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/0/p @@ -0,0 +1,49 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + location "0"; + object p; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [1 -1 -2 0 0 0 0]; + +internalField uniform 101325; + +boundaryField +{ + top + { + type zeroGradient; + } + bottom + { + type zeroGradient; + } + side-walls + { + type zeroGradient; + } + inlet + { + type zeroGradient; + } + + outlet + { + type fixedValue; + value uniform 101325; + } +} + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/0/p.org b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/0/p.org new file mode 100644 index 00000000..af41df32 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/0/p.org @@ -0,0 +1,52 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + location "0"; + object p; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [1 -1 -2 0 0 0 0]; + +internalField uniform 101325; + +boundaryField +{ + top + { + type zeroGradient; + } + + bottom + { + type zeroGradient; + } + + side-walls + { + type zeroGradient; + } + + inlet + { + type zeroGradient; + } + + outlet + { + type fixedValue; + value uniform 101325; + } +} + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/0/rho b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/0/rho new file mode 100644 index 00000000..a5f53ea7 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/0/rho @@ -0,0 +1,50 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 1.6 | +| \\ / A nd | Web: http://www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + object rho; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [1 -3 0 0 0 0 0]; + +internalField uniform 1.14; + +boundaryField +{ + top + { + type zeroGradient; + } + + bottom + { + type zeroGradient; + } + + side-walls + { + type zeroGradient; + } + + inlet + { + type zeroGradient; + } + + outlet + { + type zeroGradient; + } +} + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/0/voidfraction b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/0/voidfraction new file mode 100644 index 00000000..3126fb49 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/0/voidfraction @@ -0,0 +1,51 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 1.6 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + location "0"; + object voidfraction; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [0 0 0 0 0 0 0]; + +internalField uniform 1; + +boundaryField +{ + top + { + type zeroGradient; + } + + bottom + { + type zeroGradient; + } + + side-walls + { + type zeroGradient; + } + + inlet + { + type fixedValue; + value $internalField; + } + + outlet + { + type zeroGradient; + } +} + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/constant/chemistryProperties b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/constant/chemistryProperties new file mode 100644 index 00000000..f95868bd --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/constant/chemistryProperties @@ -0,0 +1,42 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + location "constant"; + object chemistryProperties; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +chemistry off; //on; + +/* +chemistryType +{ + chemistrySolver ode; + chemistryThermo rho; +} + +initialChemicalTimeStep 1e-07; + +EulerImplicitCoeffs +{ + cTauChem 0.05; + equilibriumRateLimiter off; +} + +odeCoeffs +{ + solver seulex; + eps 0.05; +} */ + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/constant/combustionProperties b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/constant/combustionProperties new file mode 100644 index 00000000..487421c2 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/constant/combustionProperties @@ -0,0 +1,34 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + location "constant"; + object combustionProperties; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +combustionModel noCombustion; //PaSR; //PaSR; + +active false; //true; + +noCombustionCoeffs +{ +} + + +PaSRCoeffs +{ + Cmix 1.0; + turbulentReaction off; +} + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/constant/couplingProperties b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/constant/couplingProperties new file mode 100644 index 00000000..7196cfd3 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/constant/couplingProperties @@ -0,0 +1,357 @@ +/*---------------------------------------------------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 1.4 | +| \\ / A nd | Web: http://www.openfoam.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ + + +FoamFile +{ + version 2.0; + format ascii; + + root ""; + case ""; + instance ""; + local ""; + + class dictionary; + object couplingProperties; +} + +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +//===========================================================================// +// sub-models & settings + +modelType "A"; // A or B + +couplingInterval 50; + +voidFractionModel divided;//centre;// + +locateModel engine; //turboEngineM2M;// + +meshMotionModel noMeshMotion; + +regionModel allRegion; + +IOModel basicIO; + +probeModel off; + +dataExchangeModel twoWayMPI;//twoWayM2M;//twoWayFiles;//oneWayVTK;// + +averagingModel dilute; //dense;//// + +clockModel off;//standardClock;//off; + +smoothingModel off;// localPSizeDiffSmoothing;// constDiffSmoothing; // + +forceModels +( + GidaspowDrag + gradPForce + viscForce +); + +energyModels +( + heatTransferGunn + reactionHeat +); + +thermCondModel SyamlalThermCond; + +chemistryModels +( + species + diffusionCoefficients + massTransferCoeff + // off +); + +momCoupleModels +( + implicitCouple +); + +turbulenceModelType "turbulenceProperties";//"LESProperties";// + +//===========================================================================// +// sub-model properties +reactionHeatProps +{ + reactionHeatName "reactionHeat"; + verbose false; +} + +heatTransferGunnProps +{ + partTempName "Temp"; + partHeatFluxName "convectiveHeatFlux"; + calcPartTempField true; + partRefTemp 1223.15; + implicit true; + verbose false; + interpolation false; +} + +speciesProps +{ + ChemistryFile "$casePath/CFD/constant/foam.inp"; + Nevery 1; + verbose false; + interpolation false; +} + +diffusionCoefficientsProps +{ + verbose false; + interpolation false; + ChemistryFile "$casePath/CFD/constant/foam.inp"; + diffusantGasNames ( CO + ); +} + +massTransferCoeffProps +{ + verbose false; + interpolation false; +} + +reactantPerParticleProps +{ +} + + +SyamlalThermCondProps +{ + voidfractionFieldName "voidfraction"; + rhoFieldName "rho"; +} + +LaEuScalarTempProps +{ + velFieldName "U"; + tempFieldName "T"; + voidfractionFieldName "voidfraction"; + partTempName "Temp"; + partHeatFluxName "convectiveHeatFlux"; + lambda 0.0256; + Cp 1007; +} + +localPSizeDiffSmoothingProps +{ + lowerLimit 0.1; + upperLimit 1e10; + dSmoothingLength 1.5e-3; + Csmoothing 1.0; +} + +constDiffSmoothingProps +{ + lowerLimit 0.1; + upperLimit 1e10; + smoothingLength 1.5e-3; +} + +implicitCoupleProps +{ + velFieldName "U"; + granVelFieldName "Us"; + voidfractionFieldName "voidfraction"; +} + +ArchimedesProps +{ + gravityFieldName "g"; +} + +gradPForceProps +{ + pFieldName "p"; + voidfractionFieldName "voidfraction"; + velocityFieldName "U"; + interpolation true; +} + +viscForceProps +{ + velocityFieldName "U"; + interpolation true; +} + +volWeightedAverageProps +{ + scalarFieldNames + ( + voidfraction + ); + vectorFieldNames + ( + ); + upperThreshold 0.999; + lowerThreshold 0; + verbose true; +} + +totalMomentumExchangeProps +{ + implicitMomExFieldName "Ksl"; + explicitMomExFieldName "none"; + fluidVelFieldName "U"; + granVelFieldName "Us"; +} + +GidaspowDragProps +{ + verbose true; + velFieldName "U"; + granVelFieldName "Us"; + voidfractionFieldName "voidfraction"; + interpolation true; //interpolation is on + phi 1; + //implForceDEM true; + //implForceDEMaccumulated true; + //explicitCorr true; +} + +BeetstraDragProps +{ + velFieldName "U"; + granVelFieldName "Us"; + gravityFieldName "g"; + voidfractionFieldName "voidfraction"; + interpolation false; + useFilteredDragModel ; + useParcelSizeDependentFilteredDrag ; + rhoP 4630.; + dPrim 0.00022; + rho 1.58; + nuf 1.126e-05; + g 9.81; + k 0.05; + aLimit 0.0; + verbose false; +} + +DEMbasedDragProps +{ + velFieldName "U"; + voidfractionFieldName "voidfraction"; +} + +DiFeliceDragProps +{ + //verbose true; + velFieldName "U"; + voidfractionFieldName "voidfraction"; + granVelFieldName "Us"; + interpolation false; +} + +KochHillDragProps +{ + verbose true; + velFieldName "U"; + voidfractionFieldName "voidfraction"; + interpolation false; + //forceSubModels + //( + // ImExCorr + //); + implForceDEM true; + //implForceDEMaccumulated true; + //explicitCorr true; +} + +RongDragProps +{ + verbose true; + velFieldName "U"; + voidfractionFieldName "voidfraction"; + interpolation false; + implForceDEM true; + implForceDEMaccumulated true; + granVelFieldName "Us"; +} + +virtualMassForceProps +{ + velFieldName "U"; +} + +particleCellVolumeProps +{ + upperThreshold 0.999; + lowerThreshold 0.; + verbose true; +} + +fieldStoreProps +{ + scalarFieldNames + ( + ); + + vectorFieldNames + ( + "U" + ); +} + +oneWayVTKProps +{ + couplingFilename "vtk_out%4.4d.vtk"; + maxNumberOfParticles 30000; +} + +twoWayFilesProps +{ + maxNumberOfParticles 10100; +} + +centreProps +{ + alphaMin 0.1; +} + +engineProps +{ + treeSearch true; +} + +turboEngineProps +{ + treeSearch true; +} + +turboEngineM2MProps +{ + turboEngineProps + { + treeSearch true; + } +} + +dividedProps +{ + alphaMin 0.01; + scaleUpVol 1.0; +} + +twoWayMPIProps +{ + liggghtsPath "../DEM/in.liggghts_run"; +} + +twoWayM2MProps +{ + maxNumberOfParticles 10100; + liggghtsPath "../DEM/in.liggghts_run"; +} +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/constant/foam.dat b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/constant/foam.dat new file mode 100644 index 00000000..5191ec94 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/constant/foam.dat @@ -0,0 +1,111 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + location "constant"; + object foam.dat; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // +H2 +{ + specie + { + nMoles 1; + molWeight 2.02; + } + thermodynamics + { + Cp 15016.8; + Hf 2.544e+06; + } + transport + { + mu 8.42e-05; + Pr 0.76; + } +} +H2O +{ + specie + { + nMoles 1; + molWeight 18.015; + } + thermodynamics + { + Cp 2304.1; + Hf 2.544e+06; + } + transport + { + mu 1.7e-05; + Pr 0.99; + } +} + +CO +{ + specie + { + nMoles 1; + molWeight 28.01; + } + thermodynamics + { + Cp 1189.14; + Hf 2.544e+06; + } + transport + { + mu 1.66e-05; + Pr 0.792; + } +} + +CO2 +{ + specie + { + nMoles 1; + molWeight 44.01; + } + thermodynamics + { + Cp 1239.98; + Hf 2.544e+06; + } + transport + { + mu 1.37e-05; + Pr 0.69; + } +} + +N2 +{ + specie + { + nMoles 1; + molWeight 28.0134; + } + thermodynamics + { + Cp 1171.6; + Hf 2.544e+06; + } + transport + { + mu 1.66e-05; + Pr 0.69; + } +} + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/constant/foam.inp b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/constant/foam.inp new file mode 100644 index 00000000..47f83881 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/constant/foam.inp @@ -0,0 +1,12 @@ +species +( + CO + CO2 + N2 +); + +reactions +{ +} + + diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/constant/g b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/constant/g new file mode 100644 index 00000000..abca4e14 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/constant/g @@ -0,0 +1,22 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class uniformDimensionedVectorField; + location "constant"; + object g; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [0 1 -2 0 0 0 0]; +value ( 0 -9.81 0 ); + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/constant/liggghtsCommands b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/constant/liggghtsCommands new file mode 100644 index 00000000..ea16dec7 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/constant/liggghtsCommands @@ -0,0 +1,43 @@ +/*---------------------------------------------------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 1.4 | +| \\ / A nd | Web: http://www.openfoam.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ + + +FoamFile +{ + version 2.0; + format ascii; + + root ""; + case ""; + instance ""; + local ""; + + class dictionary; + object liggghtsCommands; +} + +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +liggghtsCommandModels +( + runLiggghts + writeLiggghts +); +// ************************************************************************* // + +/*runLiggghtsProps +{ + preNo false; +}*/ + +writeLiggghtsProps +{ + writeLast on; + writeName "post/restart/liggghts.restartCFDEM"; + overwrite on; +} diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/constant/polyMesh/.blockMeshDict.swp b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/constant/polyMesh/.blockMeshDict.swp new file mode 100644 index 0000000000000000000000000000000000000000..c91a9d3065beaa1787e5d817dab0093083017671 GIT binary patch literal 1024 zcmeH@!3x4K42E~}HN49jnLdG=-UdVQJi0F0vbHI0C-d!f>@tMCfGmgb^XDTZf3vsT z(l%p9mL;>=?2@EYmJ2mA7v#jHEru?VTY$bcNHPc$4f&-wms1ziJFV<9H9SQ0X~qt0 zfY?X!it7O4(W1GLexbigs+4gWbBP8j?xPYKYh~*b4dXTtWJBaOf+PJdF-T}MiEdPd S5^?#ub+RV#_X*s8Kl}ik6Ffcu literal 0 HcmV?d00001 diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/constant/polyMesh/blockMeshDict b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/constant/polyMesh/blockMeshDict new file mode 100644 index 00000000..024f6e99 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/constant/polyMesh/blockMeshDict @@ -0,0 +1,91 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + location "constant/polyMesh"; + object blockMeshDict; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +convertToMeters 1.0; + +vertices +( + (0 0 0) + (1.5 0 0) + (1.5 0.5 0) + (0 0.5 0) + (0 0 0.5) + (1.5 0 0.5) + (1.5 0.5 0.5) + (0 0.5 0.5) +); + +blocks +( + hex (0 1 2 3 4 5 6 7)(29 9 9) simpleGrading (1 1 1) + +); + +edges +( +); + +boundary +( + top + { + type wall; + faces + ( + (3 7 6 2) + ); + } + bottom + { + type wall; + faces + ( + (1 5 4 0) + ); + } + side-walls + { + type wall; + faces + ( + (0 3 2 1) + (4 5 6 7) + ); + } + inlet + { + type patch; + faces + ( + (0 4 7 3) + ); + } + outlet + { + type patch; + faces + ( + (2 6 5 1) + ); + } +); + +mergePatchPairs +( +); + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/constant/polyMesh/cylinderMesh.m4 b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/constant/polyMesh/cylinderMesh.m4 new file mode 100644 index 00000000..6df74167 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/constant/polyMesh/cylinderMesh.m4 @@ -0,0 +1,153 @@ +// blockMesh : Block mesh description file +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + location "constant/polyMesh"; + object blockMeshDict; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // +changecom(//)changequote([,]) +define(calc, [esyscmd(perl -e 'printf ($1)')]) +define(VCOUNT, 0) +define(vlabel, [[// ]Vertex $1 = VCOUNT define($1, VCOUNT)define([VCOUNT], incr(VCOUNT))]) + + + meshGenApp blockMesh; + convertToMeters 1; + + define(D, 0.075) //75 mm column diameter + define(L, 0.15) //150 mm length + define(PI, 3.14159265) + + define(R, calc(D/2)) + define(CW, calc(D/4)) //Width of middle square section + + define(CX, calc(R*cos((PI/180)*45))) + define(CZ, calc(R*sin((PI/180)*45))) + + define(NPS, 4) //how many cells in the square section + define(NPD, 2) //how many cells from square section to perimeter + define(NPY, 15) // how many cells from top to bottom + + vertices + ( + ( CW 0.0 CW) vlabel(fiveoclocksqb) + (-CW 0.0 CW) vlabel(sevenoclocksqb) + (-CW 0.0 -CW) vlabel(elevenoclocksqb) + ( CW 0.0 -CW) vlabel(oneoclocksqb) + + ( CX 0.0 CZ) vlabel(fiveoclockcb) + (-CX 0.0 CZ) vlabel(sevenoclockcb) + (-CX 0.0 -CZ) vlabel(elevenoclockcb) + ( CX 0.0 -CZ) vlabel(oneoclockcb) + + ( CW L CW) vlabel(fiveoclocksqt) + (-CW L CW) vlabel(sevenoclocksqt) + (-CW L -CW) vlabel(elevenoclocksqt) + ( CW L -CW) vlabel(oneoclocksqt) + + ( CX L CZ) vlabel(fiveoclockct) + (-CX L CZ) vlabel(sevenoclockct) + (-CX L -CZ) vlabel(elevenoclockct) + ( CX L -CZ) vlabel(oneoclockct) + ); + + blocks + ( + //square block + hex ( + sevenoclocksqb fiveoclocksqb oneoclocksqb elevenoclocksqb + sevenoclocksqt fiveoclocksqt oneoclocksqt elevenoclocksqt + ) + (NPS NPS NPY) + simpleGrading (1 1 1) + + //slice1 + hex ( + sevenoclockcb fiveoclockcb fiveoclocksqb sevenoclocksqb + sevenoclockct fiveoclockct fiveoclocksqt sevenoclocksqt + ) + (NPS NPD NPY) + simpleGrading (1 1 1) + + //slice2 + hex ( + sevenoclocksqb elevenoclocksqb elevenoclockcb sevenoclockcb + sevenoclocksqt elevenoclocksqt elevenoclockct sevenoclockct + ) + (NPS NPD NPY) +simpleGrading (1 1 1) + + //slice3 + hex ( + elevenoclocksqb oneoclocksqb oneoclockcb elevenoclockcb + elevenoclocksqt oneoclocksqt oneoclockct elevenoclockct + ) + (NPS NPD NPY) +simpleGrading (1 1 1) + + //slice4 + hex ( + oneoclocksqb fiveoclocksqb fiveoclockcb oneoclockcb + oneoclocksqt fiveoclocksqt fiveoclockct oneoclockct + ) + (NPS NPD NPY) +simpleGrading (1 1 1) + + ); + + + //create the quarter circles + edges + ( + arc fiveoclockcb sevenoclockcb (0.0 0.0 R) + arc sevenoclockcb elevenoclockcb (-R 0.0 0.0) + arc elevenoclockcb oneoclockcb (0.0 0.0 -R) + arc oneoclockcb fiveoclockcb (R 0.0 0.0) + + arc fiveoclockct sevenoclockct (0.0 L R) + arc sevenoclockct elevenoclockct (-R L 0.0) + arc elevenoclockct oneoclockct (0.0 L -R) + arc oneoclockct fiveoclockct (R L 0.0) + + ); + + patches + ( + patch inlet + ( + (fiveoclocksqb oneoclocksqb elevenoclocksqb sevenoclocksqb) + (fiveoclocksqb fiveoclockcb oneoclockcb oneoclocksqb) + (fiveoclockcb fiveoclocksqb sevenoclocksqb sevenoclockcb) + (sevenoclocksqb elevenoclocksqb elevenoclockcb sevenoclockcb) + (oneoclocksqb oneoclockcb elevenoclockcb elevenoclocksqb) + ) + + patch outlet + ( + (fiveoclocksqt oneoclocksqt elevenoclocksqt sevenoclocksqt) + (fiveoclocksqt fiveoclockct oneoclockct oneoclocksqt) + (fiveoclockct fiveoclocksqt sevenoclocksqt sevenoclockct) + (sevenoclocksqt elevenoclocksqt elevenoclockct sevenoclockct) + (oneoclocksqt oneoclockct elevenoclockct elevenoclocksqt) + ) + + wall wall + ( + (sevenoclockcb fiveoclockcb fiveoclockct sevenoclockct) + (sevenoclockcb sevenoclockct elevenoclockct elevenoclockcb) + (elevenoclockcb elevenoclockct oneoclockct oneoclockcb) + (oneoclockcb oneoclockct fiveoclockct fiveoclockcb) + ) + +); + diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/constant/thermophysicalProperties b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/constant/thermophysicalProperties new file mode 100644 index 00000000..7f498e00 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/constant/thermophysicalProperties @@ -0,0 +1,37 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + location "constant"; + object thermophysicalProperties; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +thermoType +{ + type heRhoThermo; //hePsiThermo; // + mixture reactingMixture; //species and reactions are listed in chemistry file + transport const; //sutherland; //calcualtes viscosity as a function of temperature from Stuherland coefficient As and Ts + thermo hConst; //janaf; + equationOfState perfectGas; + energy sensibleInternalEnergy; //sensibleEnthalpy; //uses enthaly in the solution + specie specie; +} + +chemistryReader foamChemistryReader; + +foamChemistryThermoFile "$casePath/CFD/constant/foam.dat"; + +foamChemistryFile "$casePath/CFD/constant/foam.inp"; + +inertSpecie N2; + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/constant/transportProperties b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/constant/transportProperties new file mode 100644 index 00000000..0209a87c --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/constant/transportProperties @@ -0,0 +1,47 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 1.6 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + location "constant"; + object transportProperties; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +transportModel Newtonian; + +nu nu [ 0 2 -1 0 0 0 0 ] 1.526e-05; // dnyamic viscosity of CO : 1.74*10^-5 [kg/ms] -- density: 1.14 kg/m3 + // dynamic viscosity of O2 = 2,04-10^-5[kg/ms]; + // density of O2 = 1.4290 [kg/m^3] + // kinematic viscosity of air (o2+n2) = 1.48e-05; + +kf kf [ 1 1 -3 -1 0 0 0 ] 0.0507; // comes from energy model + +Cp Cp [ 0 2 -2 -1 0 0 0 ] 1118.15; // comes from energy model + + +// ******* Non-Newtonian transport properties ************************ // +/*CrossPowerLawCoeffs +{ + nu0 nu0 [ 0 2 -1 0 0 0 0 ] 1e-06; + nuInf nuInf [ 0 2 -1 0 0 0 0 ] 1e-06; + m m [ 0 0 1 0 0 0 0 ] 1; + n n [ 0 0 0 0 0 0 0 ] 1; +} + +BirdCarreauCoeffs +{ + nu0 nu0 [ 0 2 -1 0 0 0 0 ] 1e-06; + nuInf nuInf [ 0 2 -1 0 0 0 0 ] 1e-06; + k k [ 0 0 1 0 0 0 0 ] 0; + n n [ 0 0 0 0 0 0 0 ] 1; +} +*/ +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/constant/turbulenceProperties b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/constant/turbulenceProperties new file mode 100644 index 00000000..d1156961 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/constant/turbulenceProperties @@ -0,0 +1,20 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + location "constant"; + object turbulenceProperties; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +simulationType laminar; + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/system/controlDict b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/system/controlDict new file mode 100644 index 00000000..49b4efa6 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/system/controlDict @@ -0,0 +1,145 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + location "system"; + object controlDict; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +application cfdemSolverRhoPimpleChem; + +startFrom startTime; + +startTime 0.0; + +stopAt endTime; + +endTime 1200.0; + +deltaT 1; + +writeControl timeStep; + +writeInterval 50; + +purgeWrite 10; + +writeFormat ascii; + +writePrecision 6; + +writeCompression off; + +timeFormat general; + +timePrecision 6; + +runTimeModifiable true; + +adjustTimeStep no; + +maxCo 0.5; + +maxDeltaT 0.1; + + +// ************************************************************************* // + libs ( + "libfieldFunctionObjects.so" + ); + +functions +{ + moleFrac + { + type rhoReactionThermoMoleFractions; + } + + probes1 + { + type probes; + functionObjectLibs ("libsampling.so"); + #include "probesDict"; + } + + + fieldMinMax_T + { + type fieldMinMax; + libs ("libfieldFunctionObjects.so"); + fields (T); + // Report the location of the field extrema + location yes; + // Type of extrema for rank > 0 primitives + mode magnitude; // magnitude | component + } + + fieldMinMax_Cpv + { + type fieldMinMax; + libs ("libfieldFunctionObjects.so"); + fields (Cpv); + // Report the location of the field extrema + location yes; + // Type of extrema for rank > 0 primitives + mode magnitude; // magnitude | component + } + + fieldMinMax_partTemp + { + type fieldMinMax; + libs ("libfieldFunctionObjects.so"); + fields (partTemp); + location yes; + mode magnitude; + } + + globalMassFrac + { + type volRegion; + libs ("libfieldFunctionObjects.so"); + writeControl timeStep;//outputTime; + writeInterval 1; + log true; + writeFields false; + regionType all; + name c0; + operation weightedVolAverage; + weightField rhoeps; + fields + ( + CO2 + CO + N2 + ); + } + + globalMass + { + type volRegion; + libs ("libfieldFunctionObjects.so"); + writeControl timeStep;//outputTime; + writeInterval 1; + log true; + writeFields false; + regionType all; + name c1; + operation volIntegrate; + fields + ( + rhoeps + rho + ); + } +} + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/system/decomposeParDict b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/system/decomposeParDict new file mode 100644 index 00000000..c5dcd7c4 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/system/decomposeParDict @@ -0,0 +1,46 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + location "system"; + object decomposeParDict; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +numberOfSubdomains 2; + +//method scotch; +method simple; + +simpleCoeffs +{ + n (2 1 1); + delta 0.001; +} + +hierarchicalCoeffs +{ + n ( 1 1 1 ); + delta 0.001; + order xyz; +} + +manualCoeffs +{ + dataFile ""; +} + +distributed no; + +roots ( ); + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/system/fvOptions b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/system/fvOptions new file mode 100644 index 00000000..9536c869 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/system/fvOptions @@ -0,0 +1,30 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + location "system"; + object fvOptions; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // +limitedTemperature +{ + type limitTemperature; + active yes; + limitTemperatureCoeffs + { + active yes; + selectionMode all; + Tmin 1200; + Tmax 2500; + } +} + + diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/system/fvSchemes b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/system/fvSchemes new file mode 100644 index 00000000..a819f794 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/system/fvSchemes @@ -0,0 +1,83 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + location "system"; + object fvSchemes; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +ddtSchemes +{ + default Euler; +} + +gradSchemes +{ + default Gauss linear; + grad(p) cellMDLimited leastSquares 0.5; + grad(U) cellMDLimited leastSquares 0.5; //cellLimited Gauss linear 1; // + grad(h) cellMDLimited leastSquares 0.5; + grad(e) cellMDLimited leastSquares 0.5; +} + +divSchemes +{ + default Gauss linear; + + div(phi,U) Gauss limitedLinear 1; //Gauss linear; //Gauss limitedLinear 1; // //Gauss limitedLinearV 1; // + div(phid,p) Gauss limitedLinear 1; //Gauss upwind; //Gauss limitedLinearV 1; + div(phi,K) Gauss limitedLinear 1; + div(phi,h) Gauss limitedLinear 1; //Gauss upwind; + div(phi,k) Gauss limitedLinear 1; //Gauss upwind; + div(phi,epsilon) Gauss limitedLinear 1; //Gauss upwind; + div(U) Gauss limitedLinear 1; + div(phi,Yi_h) Gauss multivariateSelection + { + CO limitedLinear01 1; + H2 limitedLinear01 1; + N2 limitedLinear01 1; + H2O limitedLinear01 1; + CO2 limitedLinear01 1; + h limitedLinear 1; + e limitedLinear 1; + } + // div((muEff*dev2(T(grad(U))))) Gauss linear; + div((viscousTerm*dev2(grad(U).T()))) Gauss linear; + div((thermo:mu*dev(grad(U).T()))) Gauss linear; + div((nuEff*dev2(T(grad(U))))) Gauss linear; + div(phi,T) Gauss limitedLinear 1; +} + +laplacianSchemes +{ + default Gauss linear corrected; //Gauss linear orthogonal; +} + +interpolationSchemes +{ + default linear; + interpolate(U) linear; +} + +snGradSchemes +{ + default corrected; //orthogonal; +} + +fluxRequired +{ + default no; + p ; +} + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/system/fvSolution b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/system/fvSolution new file mode 100644 index 00000000..9976d4cd --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/system/fvSolution @@ -0,0 +1,131 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + location "system"; + object fvSolution; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // +solvers +{ + p + { + solver PCG; + preconditioner DIC; + tolerance 1e-6; + relTol 0.01; + /*solver GAMG; + tolerance 1e-06; + relTol 0.01; + smoother GaussSeidel; + nPreSweeps 0; + nPostSweeps 2; + nFinestSweeps 2; + cacheAgglomeration on; + nCellsInCoarsestLevel 10; + agglomerator faceAreaPair; + mergeLevels 1; */ + } + + pFinal + { + $p; + tolerance 1e-06; + relTol 0; + } + + "(rho|G)" + { + solver PCG; + preconditioner DIC; + tolerance 1e-6; + relTol 0.01; + /*solver smoothSolver; + smoother symGaussSeidel; + tolerance 1e-6; + relTol 0.1; + nSweeps 3;*/ + } + + "(rho|G)Final" + { + $rho; + tolerance 1e-06; + relTol 0; + } + + "(U|h|e|R|k|epsilon)" + { + solver smoothSolver; + smoother symGaussSeidel; + tolerance 1e-05; + relTol 0.1; + } + + "(U|h|e|R|k|epsilon)Final" + { + $U; + tolerance 1e-05; + relTol 0; + } + + "(Yi|CO|CO2|H2|H2O|N2)" + { + solver smoothSolver; + smoother symGaussSeidel; + tolerance 1e-06; + relTol 0.01; + maxIter 100; + } + + "(Yi|CO|CO2|H2|H2O|N2)Final" + { + $Yi; + tolerance 1e-06; + relTol 0; + maxIter 100; + } + + T + { + solver PBiCG; + preconditioner DILU; + tolerance 1e-8; + relTol 0; + } +} + +PIMPLE +{ + momentumPredictor yes; + nOuterCorrectors 5; + nCorrectors 2; + nNonOrthogonalCorrectors 0; + rhoMin rhoMin [ 1 -3 0 0 0 ] 0.4; + rhoMax rhoMax [ 1 -3 0 0 0 ] 2.0; +} + +relaxationFactors +{ + fields + { + T 0.5; + "(Yi|CO|CO2|H2|H2O|N2)" 0.6; + p 0.6; + } + equations + { + ".*" 0.8; + "(h|e).*" 0.5; + } +} + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/system/probesDict b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/system/probesDict new file mode 100644 index 00000000..e206213e --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/system/probesDict @@ -0,0 +1,47 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \ / O peration | Version: 2.1.x | +| \ / A nd | Web: www.OpenFOAM.org | +| \/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + object probesDict; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + + + +fields +( + rho + p + T + Cpv + N2 + CO2 + CO + ModSpeciesMassField_N2 + ModSpeciesMassField_CO2 + 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required for granular pair styles +fix m1 all property/global youngsModulus peratomtype 5.e6 +fix m2 all property/global poissonsRatio peratomtype 0.45 +fix m3 all property/global coefficientRestitution peratomtypepair 1 0.3 +fix m4 all property/global coefficientFriction peratomtypepair 1 0.5 + +# pair style +pair_style gran model hertz tangential history # Hertzian without cohesion +pair_coeff * * + +# timestep, gravity +timestep 1e-2 +fix gravi all gravity 0.0 vector 0.0 -1.0 0.0 + +# walls +fix xwalls1 all wall/gran model hertz tangential history primitive type 1 xplane 0.0 +fix xwalls2 all wall/gran model hertz tangential history primitive type 1 xplane 1.5 +fix ywalls1 all wall/gran model hertz tangential history primitive type 1 yplane 0.0 +fix ywalls2 all wall/gran model hertz tangential history primitive type 1 yplane 0.5 +fix zwalls1 all wall/gran model hertz tangential history primitive type 1 zplane 0.0 +fix zwalls2 all wall/gran model hertz tangential history primitive type 1 zplane 0.5 + +# create single particle in a specific spot +create_atoms 1 single 0.75 0.25 0.25 units box +set atom 1 diameter 0.01106028 density 4300 vx 0 vy 0 vz 0 + +# screen output +compute rke all erotate/sphere +thermo_style custom step atoms ke c_rke vol +thermo 1000 +thermo_modify lost ignore norm no +compute_modify thermo_temp dynamic yes + +# insert the first particles so that dump is not empty +run 1 +dump dmp all custom 100 post/dump.liggghts_init id type x y z vx vy vz fx fy fz radius mass + +run 10 upto +write_restart post/restart/liggghts.restart diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/DEM/in.liggghts_run b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/DEM/in.liggghts_run new file mode 100644 index 00000000..99b5bb1b --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/DEM/in.liggghts_run @@ -0,0 +1,201 @@ +# Pour granular particles into chute container, then induce flow +log ../DEM/log.liggghts +thermo_log ../DEM/post/thermo.txt + +atom_style granular +atom_modify map array +communicate single vel yes + +boundary f f f +newton off + +units si +processors 2 1 1 + +# read the restart file +read_restart ../DEM/post/restart/liggghts.restart + +neighbor 0.0005 bin +neigh_modify delay 0 + +# Material properties required for granular pair styles + +fix m1 all property/global youngsModulus peratomtype 5.e6 +fix m2 all property/global poissonsRatio peratomtype 0.45 +fix m3 all property/global coefficientRestitution peratomtypepair 1 0.3 +fix m4 all property/global coefficientFriction peratomtypepair 1 0.5 + +# pair style +pair_style gran model hertz tangential history # Hertzian without cohesion +pair_coeff * * + +# timestep, gravity +timestep 0.02 +fix gravi all gravity 9.81 vector 0.0 -1.0 0.0 + +# walls +fix xwalls1 all wall/gran model hertz tangential history primitive type 1 xplane 0.0 +fix xwalls2 all wall/gran model hertz tangential history primitive type 1 xplane 1.5 +fix ywalls1 all wall/gran model hertz tangential history primitive type 1 yplane 0.0 +fix ywalls2 all wall/gran model hertz tangential history primitive type 1 yplane 0.5 +fix zwalls1 all wall/gran model hertz tangential history primitive type 1 zplane 0.0 +fix zwalls2 all wall/gran model hertz tangential history primitive type 1 zplane 0.5 + +# Thermal properties +fix ftco all property/global thermalConductivity peratomtype 1.4 +fix ftca all property/global thermalCapacity peratomtype 3000 + +############################################### + +# cfd coupling +fix cfd all couple/cfd couple_every 50 mpi +fix cfd2 all couple/cfd/force + +# this one invokes heat transfer calculation, transfers per-particle temperature and adds convective heat flux to particles +fix tconv all couple/cfd/convection T0 1221 + +# this should invoke chemistry +fix cfd3 all couple/cfd/chemistry n_species 3 species_names CO CO2 N2 n_diff 1 diffusant_names CO + +# Activate for 3-layer unreacted core shrink model +fix cfd5 all chem/shrink/core speciesA CO molMassA 0.02801 speciesC CO2 molMassC 0.04401 scale_reduction_rate 10.0 screen yes + +# Chemical properties for unreacted shrink core (activate only when chem/shrink/core is active) +fix k0_CO all property/atom k0_cfd5 vector yes no no 17 25 2700 +fix Ea_CO all property/atom Ea_cfd5 vector yes no no 69488 73674 113859 + +# particle porosity/tortuosity/pore diameter +fix porosity all property/atom porosity_ vector yes no no 0.65 0.31 0.16 0.15 +fix tortuosity all property/global tortuosity_ scalar 3 +fix pore_diameter all property/global pore_diameter_ scalar 5.5e-7 + +# define layer properties +fix LayerRelRadii all property/atom relRadii vector yes no no 1.0 0.998 0.995 0.98 + +### define fix for mass layer - initial testing +fix LayerMasses all property/atom massLayer vector yes no no 0. 0. 0. 0. +fix LayerDennsities all property/atom density_all vector yes no no 7870. 5740. 5170. 5240. + +## define fix for rho_eff and fracRed - initialize as zero +fix fracRed all property/atom fracRed_all vector yes no no 0. 0. 0. +fix rhoeff all property/atom rhoeff vector yes no no 0. 0. 0. 0. + +############### +# Write data into files for post-processing + +variable WI equal 10 +variable time equal time +variable m1 equal mass[1] +variable rp equal radius[1] +variable rho1 equal mass[1]/((4/3)*PI*radius[1]*radius[1]*radius[1]) +fix printmass all print ${WI} "${time} ${m1} ${rho1} ${rp}" file mass_rho_rad.txt title "#time mass rho rad_par" + +# compute kinetic energy of particles to see if they are moving changing +compute KinEn all ke +variable ke_tot equal c_KinEn + +# print total kinetic energy +fix printCompute all print ${WI} "${time} ${ke_tot}" file printKE.txt title "#time ke_tot" + +compute Ea_CO all reduce sum f_Ea_CO[1] f_Ea_CO[2] f_Ea_CO[3] +fix Ea all ave/time 1 1 1 c_Ea_CO[1] c_Ea_CO[2] c_Ea_CO[3] +variable Ea1 equal f_Ea[1] +variable Ea2 equal f_Ea[2] +variable Ea3 equal f_Ea[3] + +compute k0CO all reduce sum f_k0_CO[1] f_k0_CO[2] f_k0_CO[3] +fix k0 all ave/time 1 1 1 c_k0CO[1] c_k0CO[2] c_k0CO[3] +variable k01 equal f_k0[1] +variable k02 equal f_k0[2] +variable k03 equal f_k0[3] + +fix printk0Ea all print ${WI} "${time} ${Ea1} ${Ea2} ${Ea3} ${k01} ${k02} ${k03}" file k0Ea.dat title "#time Ea1 Ea2 Ea3 k01 k02 k03" + +############### +# Print out values affecting chemical reduction into specified folder for given time +# Diffusion Coefficient for CO and H2 + +compute COdiff all reduce sum f_CO_diffCoeff +fix diffField_CO all ave/time 1 1 1 c_COdiff +variable CO_diffCo equal f_diffField_CO + +fix printDCoeff all print ${WI} "${time} ${CO_diffCo}" file DiffCoeff.dat title "#time CO_diffCoeff" + +############### +# Specific Resistance terms depending on reacting gases + +compute ACOd1 all reduce sum f_Aterm_cfd5[1] f_Aterm_cfd5[2] f_Aterm_cfd5[3] +fix ACOd1 all ave/time 1 1 1 c_ACOd1[1] c_ACOd1[2] c_ACOd1[3] +variable a_CO_1 equal f_ACOd1[1] +variable a_CO_2 equal f_ACOd1[2] +variable a_CO_3 equal f_ACOd1[3] + +compute BCOd1 all reduce sum f_Bterm_cfd5[1] f_Bterm_cfd5[2] f_Bterm_cfd5[3] +fix BCOd1 all ave/time 10 1 10 c_BCOd1[1] c_BCOd1[2] c_BCOd1[3] +variable b_CO_1 equal f_BCOd1[1] +variable b_CO_2 equal f_BCOd1[2] +variable b_CO_3 equal f_BCOd1[3] + +compute MCOd1 all reduce sum f_Massterm_cfd5 +fix MTCOd1 all ave/time 10 1 10 c_MCOd1 +variable mt_CO equal f_MTCOd1 + +fix printAterm all print ${WI} "${time} ${a_CO_1} ${a_CO_2} ${a_CO_3}" file Aterm.dat title "#time a_CO_1 aCO_2 a_CO_3" + +fix printBterm all print ${WI} "${time} ${b_CO_1} ${b_CO_2} ${b_CO_3}" file Bterm.dat title "#time b_CO_1 b_CO_2 b_CO_3" + +fix printMassTerm all print ${WI} "${time} ${mt_CO}" file MassTerm.dat title "#time mt_CO" + +# Print out fractional reduction for specific diameter ranges as well as total fractional reduction + +############### +# print out rate change of mass for gaseous reactant +compute dmdot all reduce sum f_dmA_cfd5[1] f_dmA_cfd5[2] f_dmA_cfd5[3] +fix dmA_val all ave/time 1 1 1 c_dmdot[1] c_dmdot[2] c_dmdot[3] +variable dmdot_1 equal f_dmA_val[1] +variable dmdot_2 equal f_dmA_val[2] +variable dmdot_3 equal f_dmA_val[3] + +fix printdmdot all print ${WI} "${time} ${dmdot_1} ${dmdot_2} ${dmdot_3}" file dmdot.dat title "#time dmdot_1 dmdot_2 dmdot_3" + +compute fr_1 all reduce sum f_fracRed[1] f_fracRed[2] f_fracRed[3] +fix fr_d1 all ave/time 1 1 1 c_fr_1[1] c_fr_1[2] c_fr_1[3] +variable fr_d1_1 equal f_fr_d1[1] +variable fr_d1_2 equal f_fr_d1[2] +variable fr_d1_3 equal f_fr_d1[3] + +# Calculate total fractional reduction to be written into the dump file for postProcessing/graphical representation +variable frOV_d1 equal 1/9*(f_fr_d1[3])+2/9*(f_fr_d1[2])+6/9*(f_fr_d1[1]) + +fix printfr1 all print ${WI} "${time} ${fr_d1_1} ${fr_d1_2} ${fr_d1_3} ${frOV_d1}" file fr_d1.dat title "#time fr_d1_1 fr_d1_2 fr_d1_3 fr_overall_d1" + +############################################### +## Check Layer Radii and Write them to files ### +compute layerRad1 all reduce sum f_LayerRelRadii[1] +fix redRad1 all ave/time 1 1 1 c_layerRad1 +variable rr1 equal f_redRad1 + +compute layerRad2 all reduce sum f_LayerRelRadii[2] +fix redRad2 all ave/time 1 1 1 c_layerRad2 +variable rr2 equal f_redRad2 + +compute layerRad3 all reduce sum f_LayerRelRadii[3] +fix redRad3 all ave/time 1 1 1 c_layerRad3 +variable rr3 equal f_redRad3 + +compute layerRad4 all reduce sum f_LayerRelRadii[4] +fix redRad4 all ave/time 1 1 1 c_layerRad4 +variable rr4 equal f_redRad4 + +fix printRelRadii all print ${WI} "${time} ${rr1} ${rr2} ${rr3} ${rr4}" file relRadii.dat title "#time relRad_1 relRad_2 relRad_3 relRad_4" +############### + +# screen output +compute rke all erotate/sphere +thermo_style custom step atoms ke c_rke vol +thermo 10 +thermo_modify lost ignore norm no +compute_modify thermo_temp dynamic yes + +dump dmp all custom 100 ../DEM/post/dump*.liggghts_run id type x y z vx vy vz fx fy fz radius mass f_fracRed[1] f_fracRed[2] f_fracRed[3] +run 1 diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/parCFDDEMrun.sh b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/parCFDDEMrun.sh new file mode 100644 index 00000000..478c59cd --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/parCFDDEMrun.sh @@ -0,0 +1,96 @@ +#!/bin/bash + +#===================================================================# +# allrun script for testcase as part of test routine +# run settlingTest CFD part +# Christoph Goniva - Feb. 2011 +#===================================================================# + +#- source CFDEM env vars +. ~/.bashrc + +#- include functions +source $CFDEM_PROJECT_DIR/etc/functions.sh + +#--------------------------------------------------------------------------------# +#- define variables +casePath="$(dirname "$(readlink -f ${BASH_SOURCE[0]})")" +logpath=$casePath +headerText="GOD0k1" +logfileName="log_$headerText" +solverName="cfdemSolverRhoPimpleChem" +nrProcs="2" +machineFileName="none" # yourMachinefileName | none +debugMode="off" # on | off| strict +testHarnessPath="$CFDEM_TEST_HARNESS_PATH" +runOctave="false" +postproc="false" + +#--------------------------------------------------------------------------------# + +#- call function to run a parallel CFD-DEM case +parCFDDEMrun $logpath $logfileName $casePath $headerText $solverName $nrProcs $machineFileName $debugMode + + +if [ $runOctave == "true" ] + then + #------------------------------# + # octave + + #- change path + cd octave + + #- rmove old graph + rm cfdemSolverPiso_ErgunTestMPI.eps + + #- run octave + octave totalPressureDrop.m + + #- show plot + evince cfdemSolverPiso_ErgunTestMPI.eps + + #- copy log file to test harness + cp ../../$logfileName $testHarnessPath + cp cfdemSolverPiso_ErgunTestMPI.eps $testHarnessPath +fi + +if [ $postproc == "true" ] + then + + #- keep terminal open (if started in new terminal) + echo "simulation finished? ...press enter to proceed" + read + + #- get VTK data from liggghts dump file + cd $casePath/DEM/post + python -i $CFDEM_LPP_DIR/lpp.py dump*.liggghts_run + + #- get VTK data from CFD sim + cd $casePath/CFD + reconstructPar + foamToVTK #- serial run of foamToVTK + #source $CFDEM_SRC_DIR/lagrangian/cfdemParticle/etc/functions.sh #- include functions + #pseudoParallelRun "foamToVTK" $nrPostProcProcessors #- pseudo parallel run of foamToVTK + + #- start paraview + paraview + + #- keep terminal open (if started in new terminal) + echo "...press enter to clean up case" + echo "press Ctr+C to keep data" + read + +fi + +#- clean up case +#echo "deleting data at: $casePath :\n" +#source $WM_PROJECT_DIR/bin/tools/CleanFunctions +#cd $casePath/CFD +#cleanCase +#rm -r $casePath/CFD/clockData +#rm $casePath/DEM/post/*.* +#touch $casePath/DEM/post/.gitignore +#rm $casePath/DEM/post/restart/*.* +#rm $casePath/DEM/post/restart/liggghts.restartCFDEM* +#touch $casePath/DEM/post/restart/.gitignore +#echo "done" diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/parDEMrun.sh b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/parDEMrun.sh new file mode 100755 index 00000000..3b9653f8 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/parDEMrun.sh @@ -0,0 +1,30 @@ +#!/bin/bash + +#===================================================================# +# DEMrun script for ErgunTestMPI testcase +# init ErgunTestMPI +# Christoph Goniva - July 2014 +#===================================================================# + +#- source CFDEM env vars +. ~/.bashrc + +#- include functions +source $CFDEM_PROJECT_DIR/etc/functions.sh + +echo "starting DEM run in parallel..." +#--------------------------------------------------------------------------------# +#- define variables +casePath="$(dirname "$(readlink -f ${BASH_SOURCE[0]})")" +logpath="$casePath" +headerText="run_liggghts_init_DEM" +logfileName="log_$headerText" +solverName="in.liggghts_init" +nrProcs=2 +machineFileName="none" +debugMode="off" +#--------------------------------------------------------------------------------# + +#- call function to run DEM case +parDEMrun $logpath $logfileName $casePath $headerText $solverName $nrProcs $machineFileName $debugMode + diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/postrun.sh b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/postrun.sh new file mode 100755 index 00000000..06624406 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/postrun.sh @@ -0,0 +1,19 @@ +#!/bin/bash +#- source CFDEM env vars +. ~/.bashrc + +#- include functions +source $CFDEM_PROJECT_DIR/etc/functions.sh + +casePath="$(dirname "$(readlink -f ${BASH_SOURCE[0]})")" + +#- get VTK data from liggghts dump file +cd $casePath/DEM/post +python -i $CFDEM_LPP_DIR/lpp.py dump*.liggghts_run + +#- get VTK data from CFD sim +cd $casePath/CFD +reconstructPar +foamToVTK + + diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/prerun.sh b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/prerun.sh new file mode 100755 index 00000000..7b370ae7 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/prerun.sh @@ -0,0 +1,13 @@ +#!/bin/bash + +#- define variables +casePath="$(dirname "$(readlink -f ${BASH_SOURCE[0]})")" + +# check if mesh was built +if [ -f "$casePath/CFD/constant/polyMesh/boundary" ]; then + echo "mesh was built before - using old mesh" +else + echo "mesh needs to be built" + cd $casePath/CFD + blockMesh +fi \ No newline at end of file diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/run.config b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/run.config new file mode 100644 index 00000000..9091b486 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/run.config @@ -0,0 +1,19 @@ +{ + "type" : "CFDEMcoupling", + "runs" : [ + { + "name" : "liggghts-init", + "input_script" : "DEM/in.liggghts_init", + "type" : "liggghts/serial" + }, + { + "name" : "cfdemrun", + "depends_on" : "liggghts-init", + "solver" : "cfdemSolverPiso", + "type" : "CFDEMcoupling/mpi", + "nprocs" : 2, + "pre_scripts" : ["prerun.sh"], + "post_scripts" : ["postrun.sh"] + } + ] +} From 14b64ef281612c071ef010c4e982cbeb67f7e616 Mon Sep 17 00:00:00 2001 From: ekinaci Date: Wed, 18 Sep 2019 16:43:56 +0200 Subject: [PATCH 63/92] Move the ISO4695 Case into the SingleParticleCases folder --- .../SingleParticleCases/ISO4695/Allclean | 35 ++ .../SingleParticleCases/ISO4695/Allrun.sh | 50 +++ .../SingleParticleCases/ISO4695/CFD/0/CO | 52 +++ .../SingleParticleCases/ISO4695/CFD/0/CO2 | 51 +++ .../SingleParticleCases/ISO4695/CFD/0/Ksl | 51 +++ .../SingleParticleCases/ISO4695/CFD/0/N2 | 52 +++ .../SingleParticleCases/ISO4695/CFD/0/Qsource | 51 +++ .../SingleParticleCases/ISO4695/CFD/0/T | 52 +++ .../SingleParticleCases/ISO4695/CFD/0/U | 49 +++ .../SingleParticleCases/ISO4695/CFD/0/Us | 48 +++ .../SingleParticleCases/ISO4695/CFD/0/alphat | 47 +++ .../SingleParticleCases/ISO4695/CFD/0/epsilon | 53 +++ .../SingleParticleCases/ISO4695/CFD/0/k | 47 +++ .../SingleParticleCases/ISO4695/CFD/0/mut | 48 +++ .../SingleParticleCases/ISO4695/CFD/0/nut | 51 +++ .../SingleParticleCases/ISO4695/CFD/0/p | 49 +++ .../SingleParticleCases/ISO4695/CFD/0/p.org | 52 +++ .../SingleParticleCases/ISO4695/CFD/0/rho | 50 +++ .../ISO4695/CFD/0/voidfraction | 51 +++ .../ISO4695/CFD/constant/chemistryProperties | 42 +++ .../ISO4695/CFD/constant/combustionProperties | 34 ++ .../ISO4695/CFD/constant/couplingProperties | 357 ++++++++++++++++++ .../ISO4695/CFD/constant/foam.dat | 111 ++++++ .../ISO4695/CFD/constant/foam.inp | 12 + .../ISO4695/CFD/constant/g | 22 ++ .../ISO4695/CFD/constant/liggghtsCommands | 43 +++ .../CFD/constant/polyMesh/.blockMeshDict.swp | Bin 0 -> 1024 bytes .../CFD/constant/polyMesh/blockMeshDict | 91 +++++ .../CFD/constant/polyMesh/cylinderMesh.m4 | 153 ++++++++ .../CFD/constant/thermophysicalProperties | 37 ++ .../ISO4695/CFD/constant/transportProperties | 47 +++ .../ISO4695/CFD/constant/turbulenceProperties | 20 + .../ISO4695/CFD/system/controlDict | 145 +++++++ .../ISO4695/CFD/system/decomposeParDict | 46 +++ .../ISO4695/CFD/system/fvOptions | 30 ++ .../ISO4695/CFD/system/fvSchemes | 83 ++++ .../ISO4695/CFD/system/fvSolution | 131 +++++++ .../ISO4695/CFD/system/probesDict | 47 +++ .../ISO4695/DEM/.in.liggghts_run.swo | Bin 0 -> 16384 bytes .../ISO4695/DEM/in.liggghts_init | 58 +++ .../ISO4695/DEM/in.liggghts_run | 201 ++++++++++ .../SingleParticleCases/ISO4695/README | 6 + .../SingleParticleCases/ISO4695/grepScript.sh | 16 + .../ISO4695/parCFDDEMrun.sh | 96 +++++ .../SingleParticleCases/ISO4695/parDEMrun.sh | 30 ++ .../SingleParticleCases/ISO4695/postrun.sh | 19 + .../SingleParticleCases/ISO4695/prerun.sh | 13 + .../SingleParticleCases/ISO4695/run.config | 19 + .../SingleParticleCases/ISO4695/runLiseScript | 19 + 49 files changed, 2867 insertions(+) create mode 100644 tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/Allclean create mode 100755 tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/Allrun.sh create mode 100644 tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/0/CO create mode 100644 tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/0/CO2 create mode 100644 tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/0/Ksl create mode 100644 tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/0/N2 create mode 100644 tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/0/Qsource create mode 100644 tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/0/T create mode 100644 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100755 tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/prerun.sh create mode 100644 tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/run.config create mode 100644 tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/runLiseScript diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/Allclean b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/Allclean new file mode 100644 index 00000000..a27b0fac --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/Allclean @@ -0,0 +1,35 @@ +#!/bin/sh +#cd ${0%/*} || exit 1 # run from this directory + +# Source tutorial run functions +. $WM_PROJECT_DIR/bin/tools/CleanFunctions +source $CFDEM_PROJECT_DIR/etc/functions.sh + +#- define variables +casePath="$(dirname "$(readlink -f ${BASH_SOURCE[0]})")" +cd $casePath/CFD +cleanCase +# rm $casePath/CFD/rmass*.dat +#rm $casePath/CFD/*.dat +#rm $casePath/CFD/*.txt +rm $casePath/log* +#rm $casePath/run_error.log +#cp -R 0/Org/p 0/p +#cp -R 0/Org/U 0/U +#cp -R 0/Org/Us 0/Us +#cp -R 0/Org/phiIB 0/phiIB +#cp -R 0/Org/voidfraction 0/voidfraction + +rm -R $casePath/DEM/post +mkdir $casePath/DEM/post +mkdir $casePath/DEM/post/restart +#cd $casePath/DEM/post/restart +#touch liggghts.restart + +## if postproc is activated (in fix_chem_shrink) +#rm $casePath/changeOfCO2 +#rm $casePath/changeOfO2 +#rm $casePath/rhogas_ +#rm $casePath/pmass_ + +# ----------------------------------------------------------------- end-of-file diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/Allrun.sh b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/Allrun.sh new file mode 100755 index 00000000..5c5cfbbc --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/Allrun.sh @@ -0,0 +1,50 @@ +#!/bin/bash + +#===================================================================# +# allrun script for testcase as part of test routine +# run settlingTest +# Christoph Goniva - Sept. 2010 +#===================================================================# + +#- source CFDEM env vars +. ~/.bashrc + +#- include functions +source $CFDEM_PROJECT_DIR/etc/functions.sh + +#- define variables +casePath="$(dirname "$(readlink -f ${BASH_SOURCE[0]})")" +export casePath + +#cd $casePath/CFD +#blockMesh + +#$casePath/parDEMrun.sh + +#bash $casePath/parCFDDEMrun.sh + +export casePath +# check if mesh was built +if [ -f "$casePath/CFD/constant/polyMesh/points" ]; then + echo "mesh was built before - using old mesh" +else + echo "mesh needs to be built" + cd $casePath/CFD + blockMesh +fi + +if [ -f "$casePath/DEM/post/restart/liggghts.restart" ]; then + echo "LIGGGHTS init was run before - using existing restart file" +else + #- run DEM in new terminal + $casePath/parDEMrun.sh +fi + +#echo "Run Simulation" +#cd $casePath/CFD +#decomposePar +#mpirun -np $nrProcs $solverName -parallel | tee -a $logfileName + +#- run parallel CFD-DEM in new terminal +#gnome-terminal -e "bash $casePath/parCFDDEMrun.sh" +bash $casePath/parCFDDEMrun.sh diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/0/CO b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/0/CO new file mode 100644 index 00000000..b971c1ce --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/0/CO @@ -0,0 +1,52 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + location "0"; + object CO; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [0 0 0 0 0 0 0]; + +internalField uniform 0.4; + +boundaryField +{ + top + { + type zeroGradient; + } + + bottom + { + type zeroGradient; + } + + side-walls + { + type zeroGradient; + } + + inlet + { + type fixedValue; + value uniform 0.4; + } + + outlet + { + type zeroGradient; + } +} + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/0/CO2 b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/0/CO2 new file mode 100644 index 00000000..4ad6de47 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/0/CO2 @@ -0,0 +1,51 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + location "0"; + object CO2; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [0 0 0 0 0 0 0]; + +internalField uniform 0.0; + +boundaryField +{ + top + { + type zeroGradient; + } + + bottom + { + type zeroGradient; + } + + side-walls + { + type zeroGradient; + } + + inlet + { + type zeroGradient; + } + + outlet + { + type zeroGradient; + } +} + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/0/Ksl b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/0/Ksl new file mode 100644 index 00000000..bc087769 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/0/Ksl @@ -0,0 +1,51 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 1.6 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + location "0"; + object Ksl; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [1 -3 -1 0 0 0 0]; + +internalField uniform 0.0; + +boundaryField +{ + top + { + type zeroGradient; + } + + bottom + { + type zeroGradient; + } + + side-walls + { + type zeroGradient; + } + + inlet + { + type zeroGradient; + } + + outlet + { + type zeroGradient; + } +} + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/0/N2 b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/0/N2 new file mode 100644 index 00000000..ed7c9acc --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/0/N2 @@ -0,0 +1,52 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + location "0"; + object N2; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [0 0 0 0 0 0 0]; + +internalField uniform 0.6; + +boundaryField +{ + top + { + type zeroGradient; + } + + bottom + { + type zeroGradient; + } + + side-walls + { + type zeroGradient; + } + + inlet + { + type fixedValue; + value uniform 0.6; + } + + outlet + { + type zeroGradient; + } +} + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/0/Qsource b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/0/Qsource new file mode 100644 index 00000000..64313b48 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/0/Qsource @@ -0,0 +1,51 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + location "0"; + object Qsource; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [1 -1 -3 0 0 0 0]; + +internalField uniform 0; + +boundaryField +{ + top + { + type zeroGradient; + } + + bottom + { + type zeroGradient; + } + + side-walls + { + type zeroGradient; + } + + inlet + { + type zeroGradient; + } + + outlet + { + type zeroGradient; + } +} + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/0/T b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/0/T new file mode 100644 index 00000000..02b5cb3b --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/0/T @@ -0,0 +1,52 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + location "0"; + object T; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [0 0 0 1 0 0 0]; + +internalField uniform 1223.15; // 950 + 273.15 + +boundaryField +{ + top + { + type zeroGradient; + } + + bottom + { + type zeroGradient; + } + + side-walls + { + type zeroGradient; + } + + inlet + { + type fixedValue; + value uniform 1223.15; + } + + outlet + { + type zeroGradient; + } +} + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/0/U b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/0/U new file mode 100644 index 00000000..047777bd --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/0/U @@ -0,0 +1,49 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volVectorField; + location "0"; + object U; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [0 1 -1 0 0 0 0]; + +internalField uniform (0.011 0 0); + +boundaryField +{ + top + { + type zeroGradient; + } + bottom + { + type zeroGradient; + } + side-walls + { + type zeroGradient; + } + inlet + { + type fixedValue; + value uniform (0.011 0 0); + } + + outlet + { + type zeroGradient; + } +} + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/0/Us b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/0/Us new file mode 100644 index 00000000..a769f873 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/0/Us @@ -0,0 +1,48 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 1.6 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volVectorField; + location "0"; + object Us; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [0 1 -1 0 0 0 0]; + +internalField uniform (0 0 0); + +boundaryField +{ + top + { + type zeroGradient; + } + bottom + { + type zeroGradient; + } + side-walls + { + type zeroGradient; + } + + inlet + { + type zeroGradient; + } + + outlet + { + type zeroGradient; + } +} + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/0/alphat b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/0/alphat new file mode 100644 index 00000000..5176c807 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/0/alphat @@ -0,0 +1,47 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + location "0"; + object alphat; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [1 -1 -1 0 0 0 0]; + +internalField uniform 0; + +boundaryField +{ + top + { + type zeroGradient; + } + bottom + { + type zeroGradient; + } + side-walls + { + type zeroGradient; + } + inlet + { + type zeroGradient; + } + outlet + { + type zeroGradient; + } +} + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/0/epsilon b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/0/epsilon new file mode 100644 index 00000000..9810c397 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/0/epsilon @@ -0,0 +1,53 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + location "0"; + object epsilon; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [0 2 -3 0 0 0 0]; + +internalField uniform 0.003; + +boundaryField +{ + top + { + type zeroGradient; + } + bottom + { + type zeroGradient; + } + side-walls + { + type zeroGradient; + } + inlet + { + type zeroGradient; + // If turbulence is present + /* + * type compressible::turbulentMixingLengthDissipationRateInlet; + * mixingLength 0.005; + * value uniform 200; + */ + } + outlet + { + type zeroGradient; + } +} + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/0/k b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/0/k new file mode 100644 index 00000000..b076e39a --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/0/k @@ -0,0 +1,47 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + location "0"; + object k; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [0 2 -2 0 0 0 0]; + +internalField uniform 0.001; + +boundaryField +{ + top + { + type zeroGradient; + } + bottom + { + type zeroGradient; + } + side-walls + { + type zeroGradient; + } + inlet + { + type zeroGradient; + } + outlet + { + type zeroGradient; + } +} + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/0/mut b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/0/mut new file mode 100644 index 00000000..612df953 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/0/mut @@ -0,0 +1,48 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + location "0"; + object mut; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [1 -1 -1 0 0 0 0]; + +internalField uniform 0; + +boundaryField +{ + top + { + type zeroGradient; + } + bottom + { + type zeroGradient; + } + side-walls + { + type zeroGradient; + } + inlet + { + type zeroGradient; + } + + outlet + { + type zeroGradient; + } +} + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/0/nut b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/0/nut new file mode 100644 index 00000000..0027f055 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/0/nut @@ -0,0 +1,51 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 1.6 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + location "0"; + object nut; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [0 2 -1 0 0 0 0]; + +internalField uniform 0; + +boundaryField +{ + top + { + type zeroGradient; + } + + bottom + { + type zeroGradient; + } + + side-walls + { + type zeroGradient; + } + + inlet + { + type zeroGradient; + } + + outlet + { + type zeroGradient; + } +} + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/0/p b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/0/p new file mode 100644 index 00000000..4af5d3be --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/0/p @@ -0,0 +1,49 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + location "0"; + object p; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [1 -1 -2 0 0 0 0]; + +internalField uniform 101325; + +boundaryField +{ + top + { + type zeroGradient; + } + bottom + { + type zeroGradient; + } + side-walls + { + type zeroGradient; + } + inlet + { + type zeroGradient; + } + + outlet + { + type fixedValue; + value uniform 101325; + } +} + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/0/p.org b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/0/p.org new file mode 100644 index 00000000..af41df32 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/0/p.org @@ -0,0 +1,52 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + location "0"; + object p; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [1 -1 -2 0 0 0 0]; + +internalField uniform 101325; + +boundaryField +{ + top + { + type zeroGradient; + } + + bottom + { + type zeroGradient; + } + + side-walls + { + type zeroGradient; + } + + inlet + { + type zeroGradient; + } + + outlet + { + type fixedValue; + value uniform 101325; + } +} + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/0/rho b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/0/rho new file mode 100644 index 00000000..a5f53ea7 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/0/rho @@ -0,0 +1,50 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 1.6 | +| \\ / A nd | Web: http://www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + object rho; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [1 -3 0 0 0 0 0]; + +internalField uniform 1.14; + +boundaryField +{ + top + { + type zeroGradient; + } + + bottom + { + type zeroGradient; + } + + side-walls + { + type zeroGradient; + } + + inlet + { + type zeroGradient; + } + + outlet + { + type zeroGradient; + } +} + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/0/voidfraction b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/0/voidfraction new file mode 100644 index 00000000..3126fb49 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/0/voidfraction @@ -0,0 +1,51 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 1.6 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + location "0"; + object voidfraction; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [0 0 0 0 0 0 0]; + +internalField uniform 1; + +boundaryField +{ + top + { + type zeroGradient; + } + + bottom + { + type zeroGradient; + } + + side-walls + { + type zeroGradient; + } + + inlet + { + type fixedValue; + value $internalField; + } + + outlet + { + type zeroGradient; + } +} + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/constant/chemistryProperties b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/constant/chemistryProperties new file mode 100644 index 00000000..f95868bd --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/constant/chemistryProperties @@ -0,0 +1,42 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + location "constant"; + object chemistryProperties; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +chemistry off; //on; + +/* +chemistryType +{ + chemistrySolver ode; + chemistryThermo rho; +} + +initialChemicalTimeStep 1e-07; + +EulerImplicitCoeffs +{ + cTauChem 0.05; + equilibriumRateLimiter off; +} + +odeCoeffs +{ + solver seulex; + eps 0.05; +} */ + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/constant/combustionProperties b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/constant/combustionProperties new file mode 100644 index 00000000..487421c2 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/constant/combustionProperties @@ -0,0 +1,34 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + location "constant"; + object combustionProperties; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +combustionModel noCombustion; //PaSR; //PaSR; + +active false; //true; + +noCombustionCoeffs +{ +} + + +PaSRCoeffs +{ + Cmix 1.0; + turbulentReaction off; +} + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/constant/couplingProperties b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/constant/couplingProperties new file mode 100644 index 00000000..7196cfd3 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/constant/couplingProperties @@ -0,0 +1,357 @@ +/*---------------------------------------------------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 1.4 | +| \\ / A nd | Web: http://www.openfoam.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ + + +FoamFile +{ + version 2.0; + format ascii; + + root ""; + case ""; + instance ""; + local ""; + + class dictionary; + object couplingProperties; +} + +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +//===========================================================================// +// sub-models & settings + +modelType "A"; // A or B + +couplingInterval 50; + +voidFractionModel divided;//centre;// + +locateModel engine; //turboEngineM2M;// + +meshMotionModel noMeshMotion; + +regionModel allRegion; + +IOModel basicIO; + +probeModel off; + +dataExchangeModel twoWayMPI;//twoWayM2M;//twoWayFiles;//oneWayVTK;// + +averagingModel dilute; //dense;//// + +clockModel off;//standardClock;//off; + +smoothingModel off;// localPSizeDiffSmoothing;// constDiffSmoothing; // + +forceModels +( + GidaspowDrag + gradPForce + viscForce +); + +energyModels +( + heatTransferGunn + reactionHeat +); + +thermCondModel SyamlalThermCond; + +chemistryModels +( + species + diffusionCoefficients + massTransferCoeff + // off +); + +momCoupleModels +( + implicitCouple +); + +turbulenceModelType "turbulenceProperties";//"LESProperties";// + +//===========================================================================// +// sub-model properties +reactionHeatProps +{ + reactionHeatName "reactionHeat"; + verbose false; +} + +heatTransferGunnProps +{ + partTempName "Temp"; + partHeatFluxName "convectiveHeatFlux"; + calcPartTempField true; + partRefTemp 1223.15; + implicit true; + verbose false; + interpolation false; +} + +speciesProps +{ + ChemistryFile "$casePath/CFD/constant/foam.inp"; + Nevery 1; + verbose false; + interpolation false; +} + +diffusionCoefficientsProps +{ + verbose false; + interpolation false; + ChemistryFile "$casePath/CFD/constant/foam.inp"; + diffusantGasNames ( CO + ); +} + +massTransferCoeffProps +{ + verbose false; + interpolation false; +} + +reactantPerParticleProps +{ +} + + +SyamlalThermCondProps +{ + voidfractionFieldName "voidfraction"; + rhoFieldName "rho"; +} + +LaEuScalarTempProps +{ + velFieldName "U"; + tempFieldName "T"; + voidfractionFieldName "voidfraction"; + partTempName "Temp"; + partHeatFluxName "convectiveHeatFlux"; + lambda 0.0256; + Cp 1007; +} + +localPSizeDiffSmoothingProps +{ + lowerLimit 0.1; + upperLimit 1e10; + dSmoothingLength 1.5e-3; + Csmoothing 1.0; +} + +constDiffSmoothingProps +{ + lowerLimit 0.1; + upperLimit 1e10; + smoothingLength 1.5e-3; +} + +implicitCoupleProps +{ + velFieldName "U"; + granVelFieldName "Us"; + voidfractionFieldName "voidfraction"; +} + +ArchimedesProps +{ + gravityFieldName "g"; +} + +gradPForceProps +{ + pFieldName "p"; + voidfractionFieldName "voidfraction"; + velocityFieldName "U"; + interpolation true; +} + +viscForceProps +{ + velocityFieldName "U"; + interpolation true; +} + +volWeightedAverageProps +{ + scalarFieldNames + ( + voidfraction + ); + vectorFieldNames + ( + ); + upperThreshold 0.999; + lowerThreshold 0; + verbose true; +} + +totalMomentumExchangeProps +{ + implicitMomExFieldName "Ksl"; + explicitMomExFieldName "none"; + fluidVelFieldName "U"; + granVelFieldName "Us"; +} + +GidaspowDragProps +{ + verbose true; + velFieldName "U"; + granVelFieldName "Us"; + voidfractionFieldName "voidfraction"; + interpolation true; //interpolation is on + phi 1; + //implForceDEM true; + //implForceDEMaccumulated true; + //explicitCorr true; +} + +BeetstraDragProps +{ + velFieldName "U"; + granVelFieldName "Us"; + gravityFieldName "g"; + voidfractionFieldName "voidfraction"; + interpolation false; + useFilteredDragModel ; + useParcelSizeDependentFilteredDrag ; + rhoP 4630.; + dPrim 0.00022; + rho 1.58; + nuf 1.126e-05; + g 9.81; + k 0.05; + aLimit 0.0; + verbose false; +} + +DEMbasedDragProps +{ + velFieldName "U"; + voidfractionFieldName "voidfraction"; +} + +DiFeliceDragProps +{ + //verbose true; + velFieldName "U"; + voidfractionFieldName "voidfraction"; + granVelFieldName "Us"; + interpolation false; +} + +KochHillDragProps +{ + verbose true; + velFieldName "U"; + voidfractionFieldName "voidfraction"; + interpolation false; + //forceSubModels + //( + // ImExCorr + //); + implForceDEM true; + //implForceDEMaccumulated true; + //explicitCorr true; +} + +RongDragProps +{ + verbose true; + velFieldName "U"; + voidfractionFieldName "voidfraction"; + interpolation false; + implForceDEM true; + implForceDEMaccumulated true; + granVelFieldName "Us"; +} + +virtualMassForceProps +{ + velFieldName "U"; +} + +particleCellVolumeProps +{ + upperThreshold 0.999; + lowerThreshold 0.; + verbose true; +} + +fieldStoreProps +{ + scalarFieldNames + ( + ); + + vectorFieldNames + ( + "U" + ); +} + +oneWayVTKProps +{ + couplingFilename "vtk_out%4.4d.vtk"; + maxNumberOfParticles 30000; +} + +twoWayFilesProps +{ + maxNumberOfParticles 10100; +} + +centreProps +{ + alphaMin 0.1; +} + +engineProps +{ + treeSearch true; +} + +turboEngineProps +{ + treeSearch true; +} + +turboEngineM2MProps +{ + turboEngineProps + { + treeSearch true; + } +} + +dividedProps +{ + alphaMin 0.01; + scaleUpVol 1.0; +} + +twoWayMPIProps +{ + liggghtsPath "../DEM/in.liggghts_run"; +} + +twoWayM2MProps +{ + maxNumberOfParticles 10100; + liggghtsPath "../DEM/in.liggghts_run"; +} +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/constant/foam.dat b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/constant/foam.dat new file mode 100644 index 00000000..5191ec94 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/constant/foam.dat @@ -0,0 +1,111 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + location "constant"; + object foam.dat; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // +H2 +{ + specie + { + nMoles 1; + molWeight 2.02; + } + thermodynamics + { + Cp 15016.8; + Hf 2.544e+06; + } + transport + { + mu 8.42e-05; + Pr 0.76; + } +} +H2O +{ + specie + { + nMoles 1; + molWeight 18.015; + } + thermodynamics + { + Cp 2304.1; + Hf 2.544e+06; + } + transport + { + mu 1.7e-05; + Pr 0.99; + } +} + +CO +{ + specie + { + nMoles 1; + molWeight 28.01; + } + thermodynamics + { + Cp 1189.14; + Hf 2.544e+06; + } + transport + { + mu 1.66e-05; + Pr 0.792; + } +} + +CO2 +{ + specie + { + nMoles 1; + molWeight 44.01; + } + thermodynamics + { + Cp 1239.98; + Hf 2.544e+06; + } + transport + { + mu 1.37e-05; + Pr 0.69; + } +} + +N2 +{ + specie + { + nMoles 1; + molWeight 28.0134; + } + thermodynamics + { + Cp 1171.6; + Hf 2.544e+06; + } + transport + { + mu 1.66e-05; + Pr 0.69; + } +} + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/constant/foam.inp b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/constant/foam.inp new file mode 100644 index 00000000..47f83881 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/constant/foam.inp @@ -0,0 +1,12 @@ +species +( + CO + CO2 + N2 +); + +reactions +{ +} + + diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/constant/g b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/constant/g new file mode 100644 index 00000000..abca4e14 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/constant/g @@ -0,0 +1,22 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class uniformDimensionedVectorField; + location "constant"; + object g; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [0 1 -2 0 0 0 0]; +value ( 0 -9.81 0 ); + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/constant/liggghtsCommands b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/constant/liggghtsCommands new file mode 100644 index 00000000..ea16dec7 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/constant/liggghtsCommands @@ -0,0 +1,43 @@ +/*---------------------------------------------------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 1.4 | +| \\ / A nd | Web: http://www.openfoam.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ + + +FoamFile +{ + version 2.0; + format ascii; + + root ""; + case ""; + instance ""; + local ""; + + class dictionary; + object liggghtsCommands; +} + +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +liggghtsCommandModels +( + runLiggghts + writeLiggghts +); +// ************************************************************************* // + +/*runLiggghtsProps +{ + preNo false; +}*/ + +writeLiggghtsProps +{ + writeLast on; + writeName "post/restart/liggghts.restartCFDEM"; + overwrite on; +} diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/constant/polyMesh/.blockMeshDict.swp b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/constant/polyMesh/.blockMeshDict.swp new file mode 100644 index 0000000000000000000000000000000000000000..c91a9d3065beaa1787e5d817dab0093083017671 GIT binary patch literal 1024 zcmeH@!3x4K42E~}HN49jnLdG=-UdVQJi0F0vbHI0C-d!f>@tMCfGmgb^XDTZf3vsT z(l%p9mL;>=?2@EYmJ2mA7v#jHEru?VTY$bcNHPc$4f&-wms1ziJFV<9H9SQ0X~qt0 zfY?X!it7O4(W1GLexbigs+4gWbBP8j?xPYKYh~*b4dXTtWJBaOf+PJdF-T}MiEdPd S5^?#ub+RV#_X*s8Kl}ik6Ffcu literal 0 HcmV?d00001 diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/constant/polyMesh/blockMeshDict b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/constant/polyMesh/blockMeshDict new file mode 100644 index 00000000..024f6e99 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/constant/polyMesh/blockMeshDict @@ -0,0 +1,91 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + location "constant/polyMesh"; + object blockMeshDict; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +convertToMeters 1.0; + +vertices +( + (0 0 0) + (1.5 0 0) + (1.5 0.5 0) + (0 0.5 0) + (0 0 0.5) + (1.5 0 0.5) + (1.5 0.5 0.5) + (0 0.5 0.5) +); + +blocks +( + hex (0 1 2 3 4 5 6 7)(29 9 9) simpleGrading (1 1 1) + +); + +edges +( +); + +boundary +( + top + { + type wall; + faces + ( + (3 7 6 2) + ); + } + bottom + { + type wall; + faces + ( + (1 5 4 0) + ); + } + side-walls + { + type wall; + faces + ( + (0 3 2 1) + (4 5 6 7) + ); + } + inlet + { + type patch; + faces + ( + (0 4 7 3) + ); + } + outlet + { + type patch; + faces + ( + (2 6 5 1) + ); + } +); + +mergePatchPairs +( +); + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/constant/polyMesh/cylinderMesh.m4 b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/constant/polyMesh/cylinderMesh.m4 new file mode 100644 index 00000000..6df74167 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/constant/polyMesh/cylinderMesh.m4 @@ -0,0 +1,153 @@ +// blockMesh : Block mesh description file +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + location "constant/polyMesh"; + object blockMeshDict; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // +changecom(//)changequote([,]) +define(calc, [esyscmd(perl -e 'printf ($1)')]) +define(VCOUNT, 0) +define(vlabel, [[// ]Vertex $1 = VCOUNT define($1, VCOUNT)define([VCOUNT], incr(VCOUNT))]) + + + meshGenApp blockMesh; + convertToMeters 1; + + define(D, 0.075) //75 mm column diameter + define(L, 0.15) //150 mm length + define(PI, 3.14159265) + + define(R, calc(D/2)) + define(CW, calc(D/4)) //Width of middle square section + + define(CX, calc(R*cos((PI/180)*45))) + define(CZ, calc(R*sin((PI/180)*45))) + + define(NPS, 4) //how many cells in the square section + define(NPD, 2) //how many cells from square section to perimeter + define(NPY, 15) // how many cells from top to bottom + + vertices + ( + ( CW 0.0 CW) vlabel(fiveoclocksqb) + (-CW 0.0 CW) vlabel(sevenoclocksqb) + (-CW 0.0 -CW) vlabel(elevenoclocksqb) + ( CW 0.0 -CW) vlabel(oneoclocksqb) + + ( CX 0.0 CZ) vlabel(fiveoclockcb) + (-CX 0.0 CZ) vlabel(sevenoclockcb) + (-CX 0.0 -CZ) vlabel(elevenoclockcb) + ( CX 0.0 -CZ) vlabel(oneoclockcb) + + ( CW L CW) vlabel(fiveoclocksqt) + (-CW L CW) vlabel(sevenoclocksqt) + (-CW L -CW) vlabel(elevenoclocksqt) + ( CW L -CW) vlabel(oneoclocksqt) + + ( CX L CZ) vlabel(fiveoclockct) + (-CX L CZ) vlabel(sevenoclockct) + (-CX L -CZ) vlabel(elevenoclockct) + ( CX L -CZ) vlabel(oneoclockct) + ); + + blocks + ( + //square block + hex ( + sevenoclocksqb fiveoclocksqb oneoclocksqb elevenoclocksqb + sevenoclocksqt fiveoclocksqt oneoclocksqt elevenoclocksqt + ) + (NPS NPS NPY) + simpleGrading (1 1 1) + + //slice1 + hex ( + sevenoclockcb fiveoclockcb fiveoclocksqb sevenoclocksqb + sevenoclockct fiveoclockct fiveoclocksqt sevenoclocksqt + ) + (NPS NPD NPY) + simpleGrading (1 1 1) + + //slice2 + hex ( + sevenoclocksqb elevenoclocksqb elevenoclockcb sevenoclockcb + sevenoclocksqt elevenoclocksqt elevenoclockct sevenoclockct + ) + (NPS NPD NPY) +simpleGrading (1 1 1) + + //slice3 + hex ( + elevenoclocksqb oneoclocksqb oneoclockcb elevenoclockcb + elevenoclocksqt oneoclocksqt oneoclockct elevenoclockct + ) + (NPS NPD NPY) +simpleGrading (1 1 1) + + //slice4 + hex ( + oneoclocksqb fiveoclocksqb fiveoclockcb oneoclockcb + oneoclocksqt fiveoclocksqt fiveoclockct oneoclockct + ) + (NPS NPD NPY) +simpleGrading (1 1 1) + + ); + + + //create the quarter circles + edges + ( + arc fiveoclockcb sevenoclockcb (0.0 0.0 R) + arc sevenoclockcb elevenoclockcb (-R 0.0 0.0) + arc elevenoclockcb oneoclockcb (0.0 0.0 -R) + arc oneoclockcb fiveoclockcb (R 0.0 0.0) + + arc fiveoclockct sevenoclockct (0.0 L R) + arc sevenoclockct elevenoclockct (-R L 0.0) + arc elevenoclockct oneoclockct (0.0 L -R) + arc oneoclockct fiveoclockct (R L 0.0) + + ); + + patches + ( + patch inlet + ( + (fiveoclocksqb oneoclocksqb elevenoclocksqb sevenoclocksqb) + (fiveoclocksqb fiveoclockcb oneoclockcb oneoclocksqb) + (fiveoclockcb fiveoclocksqb sevenoclocksqb sevenoclockcb) + (sevenoclocksqb elevenoclocksqb elevenoclockcb sevenoclockcb) + (oneoclocksqb oneoclockcb elevenoclockcb elevenoclocksqb) + ) + + patch outlet + ( + (fiveoclocksqt oneoclocksqt elevenoclocksqt sevenoclocksqt) + (fiveoclocksqt fiveoclockct oneoclockct oneoclocksqt) + (fiveoclockct fiveoclocksqt sevenoclocksqt sevenoclockct) + (sevenoclocksqt elevenoclocksqt elevenoclockct sevenoclockct) + (oneoclocksqt oneoclockct elevenoclockct elevenoclocksqt) + ) + + wall wall + ( + (sevenoclockcb fiveoclockcb fiveoclockct sevenoclockct) + (sevenoclockcb sevenoclockct elevenoclockct elevenoclockcb) + (elevenoclockcb elevenoclockct oneoclockct oneoclockcb) + (oneoclockcb oneoclockct fiveoclockct fiveoclockcb) + ) + +); + diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/constant/thermophysicalProperties b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/constant/thermophysicalProperties new file mode 100644 index 00000000..7f498e00 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/constant/thermophysicalProperties @@ -0,0 +1,37 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + location "constant"; + object thermophysicalProperties; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +thermoType +{ + type heRhoThermo; //hePsiThermo; // + mixture reactingMixture; //species and reactions are listed in chemistry file + transport const; //sutherland; //calcualtes viscosity as a function of temperature from Stuherland coefficient As and Ts + thermo hConst; //janaf; + equationOfState perfectGas; + energy sensibleInternalEnergy; //sensibleEnthalpy; //uses enthaly in the solution + specie specie; +} + +chemistryReader foamChemistryReader; + +foamChemistryThermoFile "$casePath/CFD/constant/foam.dat"; + +foamChemistryFile "$casePath/CFD/constant/foam.inp"; + +inertSpecie N2; + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/constant/transportProperties b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/constant/transportProperties new file mode 100644 index 00000000..0209a87c --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/constant/transportProperties @@ -0,0 +1,47 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 1.6 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + location "constant"; + object transportProperties; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +transportModel Newtonian; + +nu nu [ 0 2 -1 0 0 0 0 ] 1.526e-05; // dnyamic viscosity of CO : 1.74*10^-5 [kg/ms] -- density: 1.14 kg/m3 + // dynamic viscosity of O2 = 2,04-10^-5[kg/ms]; + // density of O2 = 1.4290 [kg/m^3] + // kinematic viscosity of air (o2+n2) = 1.48e-05; + +kf kf [ 1 1 -3 -1 0 0 0 ] 0.0507; // comes from energy model + +Cp Cp [ 0 2 -2 -1 0 0 0 ] 1118.15; // comes from energy model + + +// ******* Non-Newtonian transport properties ************************ // +/*CrossPowerLawCoeffs +{ + nu0 nu0 [ 0 2 -1 0 0 0 0 ] 1e-06; + nuInf nuInf [ 0 2 -1 0 0 0 0 ] 1e-06; + m m [ 0 0 1 0 0 0 0 ] 1; + n n [ 0 0 0 0 0 0 0 ] 1; +} + +BirdCarreauCoeffs +{ + nu0 nu0 [ 0 2 -1 0 0 0 0 ] 1e-06; + nuInf nuInf [ 0 2 -1 0 0 0 0 ] 1e-06; + k k [ 0 0 1 0 0 0 0 ] 0; + n n [ 0 0 0 0 0 0 0 ] 1; +} +*/ +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/constant/turbulenceProperties b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/constant/turbulenceProperties new file mode 100644 index 00000000..d1156961 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/constant/turbulenceProperties @@ -0,0 +1,20 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + location "constant"; + object turbulenceProperties; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +simulationType laminar; + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/system/controlDict b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/system/controlDict new file mode 100644 index 00000000..49b4efa6 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/system/controlDict @@ -0,0 +1,145 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + location "system"; + object controlDict; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +application cfdemSolverRhoPimpleChem; + +startFrom startTime; + +startTime 0.0; + +stopAt endTime; + +endTime 1200.0; + +deltaT 1; + +writeControl timeStep; + +writeInterval 50; + +purgeWrite 10; + +writeFormat ascii; + +writePrecision 6; + +writeCompression off; + +timeFormat general; + +timePrecision 6; + +runTimeModifiable true; + +adjustTimeStep no; + +maxCo 0.5; + +maxDeltaT 0.1; + + +// ************************************************************************* // + libs ( + "libfieldFunctionObjects.so" + ); + +functions +{ + moleFrac + { + type rhoReactionThermoMoleFractions; + } + + probes1 + { + type probes; + functionObjectLibs ("libsampling.so"); + #include "probesDict"; + } + + + fieldMinMax_T + { + type fieldMinMax; + libs ("libfieldFunctionObjects.so"); + fields (T); + // Report the location of the field extrema + location yes; + // Type of extrema for rank > 0 primitives + mode magnitude; // magnitude | component + } + + fieldMinMax_Cpv + { + type fieldMinMax; + libs ("libfieldFunctionObjects.so"); + fields (Cpv); + // Report the location of the field extrema + location yes; + // Type of extrema for rank > 0 primitives + mode magnitude; // magnitude | component + } + + fieldMinMax_partTemp + { + type fieldMinMax; + libs ("libfieldFunctionObjects.so"); + fields (partTemp); + location yes; + mode magnitude; + } + + globalMassFrac + { + type volRegion; + libs ("libfieldFunctionObjects.so"); + writeControl timeStep;//outputTime; + writeInterval 1; + log true; + writeFields false; + regionType all; + name c0; + operation weightedVolAverage; + weightField rhoeps; + fields + ( + CO2 + CO + N2 + ); + } + + globalMass + { + type volRegion; + libs ("libfieldFunctionObjects.so"); + writeControl timeStep;//outputTime; + writeInterval 1; + log true; + writeFields false; + regionType all; + name c1; + operation volIntegrate; + fields + ( + rhoeps + rho + ); + } +} + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/system/decomposeParDict b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/system/decomposeParDict new file mode 100644 index 00000000..c5dcd7c4 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/system/decomposeParDict @@ -0,0 +1,46 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + location "system"; + object decomposeParDict; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +numberOfSubdomains 2; + +//method scotch; +method simple; + +simpleCoeffs +{ + n (2 1 1); + delta 0.001; +} + +hierarchicalCoeffs +{ + n ( 1 1 1 ); + delta 0.001; + order xyz; +} + +manualCoeffs +{ + dataFile ""; +} + +distributed no; + +roots ( ); + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/system/fvOptions b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/system/fvOptions new file mode 100644 index 00000000..9536c869 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/system/fvOptions @@ -0,0 +1,30 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + location "system"; + object fvOptions; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // +limitedTemperature +{ + type limitTemperature; + active yes; + limitTemperatureCoeffs + { + active yes; + selectionMode all; + Tmin 1200; + Tmax 2500; + } +} + + diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/system/fvSchemes b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/system/fvSchemes new file mode 100644 index 00000000..a819f794 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/system/fvSchemes @@ -0,0 +1,83 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + location "system"; + object fvSchemes; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +ddtSchemes +{ + default Euler; +} + +gradSchemes +{ + default Gauss linear; + grad(p) cellMDLimited leastSquares 0.5; + grad(U) cellMDLimited leastSquares 0.5; //cellLimited Gauss linear 1; // + grad(h) cellMDLimited leastSquares 0.5; + grad(e) cellMDLimited leastSquares 0.5; +} + +divSchemes +{ + default Gauss linear; + + div(phi,U) Gauss limitedLinear 1; //Gauss linear; //Gauss limitedLinear 1; // //Gauss limitedLinearV 1; // + div(phid,p) Gauss limitedLinear 1; //Gauss upwind; //Gauss limitedLinearV 1; + div(phi,K) Gauss limitedLinear 1; + div(phi,h) Gauss limitedLinear 1; //Gauss upwind; + div(phi,k) Gauss limitedLinear 1; //Gauss upwind; + div(phi,epsilon) Gauss limitedLinear 1; //Gauss upwind; + div(U) Gauss limitedLinear 1; + div(phi,Yi_h) Gauss multivariateSelection + { + CO limitedLinear01 1; + H2 limitedLinear01 1; + N2 limitedLinear01 1; + H2O limitedLinear01 1; + CO2 limitedLinear01 1; + h limitedLinear 1; + e limitedLinear 1; + } + // div((muEff*dev2(T(grad(U))))) Gauss linear; + div((viscousTerm*dev2(grad(U).T()))) Gauss linear; + div((thermo:mu*dev(grad(U).T()))) Gauss linear; + div((nuEff*dev2(T(grad(U))))) Gauss linear; + div(phi,T) Gauss limitedLinear 1; +} + +laplacianSchemes +{ + default Gauss linear corrected; //Gauss linear orthogonal; +} + +interpolationSchemes +{ + default linear; + interpolate(U) linear; +} + +snGradSchemes +{ + default corrected; //orthogonal; +} + +fluxRequired +{ + default no; + p ; +} + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/system/fvSolution b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/system/fvSolution new file mode 100644 index 00000000..9976d4cd --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/system/fvSolution @@ -0,0 +1,131 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + location "system"; + object fvSolution; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // +solvers +{ + p + { + solver PCG; + preconditioner DIC; + tolerance 1e-6; + relTol 0.01; + /*solver GAMG; + tolerance 1e-06; + relTol 0.01; + smoother GaussSeidel; + nPreSweeps 0; + nPostSweeps 2; + nFinestSweeps 2; + cacheAgglomeration on; + nCellsInCoarsestLevel 10; + agglomerator faceAreaPair; + mergeLevels 1; */ + } + + pFinal + { + $p; + tolerance 1e-06; + relTol 0; + } + + "(rho|G)" + { + solver PCG; + preconditioner DIC; + tolerance 1e-6; + relTol 0.01; + /*solver smoothSolver; + smoother symGaussSeidel; + tolerance 1e-6; + relTol 0.1; + nSweeps 3;*/ + } + + "(rho|G)Final" + { + $rho; + tolerance 1e-06; + relTol 0; + } + + "(U|h|e|R|k|epsilon)" + { + solver smoothSolver; + smoother symGaussSeidel; + tolerance 1e-05; + relTol 0.1; + } + + "(U|h|e|R|k|epsilon)Final" + { + $U; + tolerance 1e-05; + relTol 0; + } + + "(Yi|CO|CO2|H2|H2O|N2)" + { + solver smoothSolver; + smoother symGaussSeidel; + tolerance 1e-06; + relTol 0.01; + maxIter 100; + } + + "(Yi|CO|CO2|H2|H2O|N2)Final" + { + $Yi; + tolerance 1e-06; + relTol 0; + maxIter 100; + } + + T + { + solver PBiCG; + preconditioner DILU; + tolerance 1e-8; + relTol 0; + } +} + +PIMPLE +{ + momentumPredictor yes; + nOuterCorrectors 5; + nCorrectors 2; + nNonOrthogonalCorrectors 0; + rhoMin rhoMin [ 1 -3 0 0 0 ] 0.4; + rhoMax rhoMax [ 1 -3 0 0 0 ] 2.0; +} + +relaxationFactors +{ + fields + { + T 0.5; + "(Yi|CO|CO2|H2|H2O|N2)" 0.6; + p 0.6; + } + equations + { + ".*" 0.8; + "(h|e).*" 0.5; + } +} + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/system/probesDict b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/system/probesDict new file mode 100644 index 00000000..e206213e --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/system/probesDict @@ -0,0 +1,47 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \ / O peration | Version: 2.1.x | +| \ / A nd | Web: www.OpenFOAM.org | +| \/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + object probesDict; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + + + +fields +( + rho + p + T + Cpv + N2 + CO2 + CO + ModSpeciesMassField_N2 + ModSpeciesMassField_CO2 + ModSpeciesMassField_CO + X_CO + X_CO2 +); + +writeControl timeStep; +writeInterval 50; + + +// Locations to be probed. +probeLocations +( + (7.0 2.5 2.5) + (8.0 2.5 2.5) + (1.0 2.5 2.5) +); + +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/DEM/.in.liggghts_run.swo 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100644 index 00000000..30fee690 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/DEM/in.liggghts_init @@ -0,0 +1,58 @@ +# Particle insertion into domain +atom_style granular +atom_modify map array +echo both + +communicate single vel yes + +boundary f f f +newton off + +units si +processors 2 1 1 + +region reg block 0. 1.5 0. 0.5 0. 0.5 units box +create_box 1 reg + +neighbor 0.0005 bin +neigh_modify delay 0 + +# Material properties required for granular pair styles +fix m1 all property/global youngsModulus peratomtype 5.e6 +fix m2 all property/global poissonsRatio peratomtype 0.45 +fix m3 all property/global coefficientRestitution peratomtypepair 1 0.3 +fix m4 all property/global coefficientFriction peratomtypepair 1 0.5 + +# pair style +pair_style gran model hertz tangential history # Hertzian without cohesion +pair_coeff * * + +# timestep, gravity +timestep 1e-2 +fix gravi all gravity 0.0 vector 0.0 -1.0 0.0 + +# walls +fix xwalls1 all wall/gran model hertz tangential history primitive type 1 xplane 0.0 +fix xwalls2 all wall/gran model hertz tangential history primitive type 1 xplane 1.5 +fix ywalls1 all wall/gran model hertz tangential history primitive type 1 yplane 0.0 +fix ywalls2 all wall/gran model hertz tangential history primitive type 1 yplane 0.5 +fix zwalls1 all wall/gran model hertz tangential history primitive type 1 zplane 0.0 +fix zwalls2 all wall/gran model hertz tangential history primitive type 1 zplane 0.5 + +# create single particle in a specific spot +create_atoms 1 single 0.75 0.25 0.25 units box +set atom 1 diameter 0.01106028 density 4300 vx 0 vy 0 vz 0 + +# screen output +compute rke all erotate/sphere +thermo_style custom step atoms ke c_rke vol +thermo 1000 +thermo_modify lost ignore norm no +compute_modify thermo_temp dynamic yes + +# insert the first particles so that dump is not empty +run 1 +dump dmp all custom 100 post/dump.liggghts_init id type x y z vx vy vz fx fy fz radius mass + +run 10 upto +write_restart post/restart/liggghts.restart diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/DEM/in.liggghts_run b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/DEM/in.liggghts_run new file mode 100644 index 00000000..99b5bb1b --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/DEM/in.liggghts_run @@ -0,0 +1,201 @@ +# Pour granular particles into chute container, then induce flow +log ../DEM/log.liggghts +thermo_log ../DEM/post/thermo.txt + +atom_style granular +atom_modify map array +communicate single vel yes + +boundary f f f +newton off + +units si +processors 2 1 1 + +# read the restart file +read_restart ../DEM/post/restart/liggghts.restart + +neighbor 0.0005 bin +neigh_modify delay 0 + +# Material properties required for granular pair styles + +fix m1 all property/global youngsModulus peratomtype 5.e6 +fix m2 all property/global poissonsRatio peratomtype 0.45 +fix m3 all property/global coefficientRestitution peratomtypepair 1 0.3 +fix m4 all property/global coefficientFriction peratomtypepair 1 0.5 + +# pair style +pair_style gran model hertz tangential history # Hertzian without cohesion +pair_coeff * * + +# timestep, gravity +timestep 0.02 +fix gravi all gravity 9.81 vector 0.0 -1.0 0.0 + +# walls +fix xwalls1 all wall/gran model hertz tangential history primitive type 1 xplane 0.0 +fix xwalls2 all wall/gran model hertz tangential history primitive type 1 xplane 1.5 +fix ywalls1 all wall/gran model hertz tangential history primitive type 1 yplane 0.0 +fix ywalls2 all wall/gran model hertz tangential history primitive type 1 yplane 0.5 +fix zwalls1 all wall/gran model hertz tangential history primitive type 1 zplane 0.0 +fix zwalls2 all wall/gran model hertz tangential history primitive type 1 zplane 0.5 + +# Thermal properties +fix ftco all property/global thermalConductivity peratomtype 1.4 +fix ftca all property/global thermalCapacity peratomtype 3000 + +############################################### + +# cfd coupling +fix cfd all couple/cfd couple_every 50 mpi +fix cfd2 all couple/cfd/force + +# this one invokes heat transfer calculation, transfers per-particle temperature and adds convective heat flux to particles +fix tconv all couple/cfd/convection T0 1221 + +# this should invoke chemistry +fix cfd3 all couple/cfd/chemistry n_species 3 species_names CO CO2 N2 n_diff 1 diffusant_names CO + +# Activate for 3-layer unreacted core shrink model +fix cfd5 all chem/shrink/core speciesA CO molMassA 0.02801 speciesC CO2 molMassC 0.04401 scale_reduction_rate 10.0 screen yes + +# Chemical properties for unreacted shrink core (activate only when chem/shrink/core is active) +fix k0_CO all property/atom k0_cfd5 vector yes no no 17 25 2700 +fix Ea_CO all property/atom Ea_cfd5 vector yes no no 69488 73674 113859 + +# particle porosity/tortuosity/pore diameter +fix porosity all property/atom porosity_ vector yes no no 0.65 0.31 0.16 0.15 +fix tortuosity all property/global tortuosity_ scalar 3 +fix pore_diameter all property/global pore_diameter_ scalar 5.5e-7 + +# define layer properties +fix LayerRelRadii all property/atom relRadii vector yes no no 1.0 0.998 0.995 0.98 + +### define fix for mass layer - initial testing +fix LayerMasses all property/atom massLayer vector yes no no 0. 0. 0. 0. +fix LayerDennsities all property/atom density_all vector yes no no 7870. 5740. 5170. 5240. + +## define fix for rho_eff and fracRed - initialize as zero +fix fracRed all property/atom fracRed_all vector yes no no 0. 0. 0. +fix rhoeff all property/atom rhoeff vector yes no no 0. 0. 0. 0. + +############### +# Write data into files for post-processing + +variable WI equal 10 +variable time equal time +variable m1 equal mass[1] +variable rp equal radius[1] +variable rho1 equal mass[1]/((4/3)*PI*radius[1]*radius[1]*radius[1]) +fix printmass all print ${WI} "${time} ${m1} ${rho1} ${rp}" file mass_rho_rad.txt title "#time mass rho rad_par" + +# compute kinetic energy of particles to see if they are moving changing +compute KinEn all ke +variable ke_tot equal c_KinEn + +# print total kinetic energy +fix printCompute all print ${WI} "${time} ${ke_tot}" file printKE.txt title "#time ke_tot" + +compute Ea_CO all reduce sum f_Ea_CO[1] f_Ea_CO[2] f_Ea_CO[3] +fix Ea all ave/time 1 1 1 c_Ea_CO[1] c_Ea_CO[2] c_Ea_CO[3] +variable Ea1 equal f_Ea[1] +variable Ea2 equal f_Ea[2] +variable Ea3 equal f_Ea[3] + +compute k0CO all reduce sum f_k0_CO[1] f_k0_CO[2] f_k0_CO[3] +fix k0 all ave/time 1 1 1 c_k0CO[1] c_k0CO[2] c_k0CO[3] +variable k01 equal f_k0[1] +variable k02 equal f_k0[2] +variable k03 equal f_k0[3] + +fix printk0Ea all print ${WI} "${time} ${Ea1} ${Ea2} ${Ea3} ${k01} ${k02} ${k03}" file k0Ea.dat title "#time Ea1 Ea2 Ea3 k01 k02 k03" + +############### +# Print out values affecting chemical reduction into specified folder for given time +# Diffusion Coefficient for CO and H2 + +compute COdiff all reduce sum f_CO_diffCoeff +fix diffField_CO all ave/time 1 1 1 c_COdiff +variable CO_diffCo equal f_diffField_CO + +fix printDCoeff all print ${WI} "${time} ${CO_diffCo}" file DiffCoeff.dat title "#time CO_diffCoeff" + +############### +# Specific Resistance terms depending on reacting gases + +compute ACOd1 all reduce sum f_Aterm_cfd5[1] f_Aterm_cfd5[2] f_Aterm_cfd5[3] +fix ACOd1 all ave/time 1 1 1 c_ACOd1[1] c_ACOd1[2] c_ACOd1[3] +variable a_CO_1 equal f_ACOd1[1] +variable a_CO_2 equal f_ACOd1[2] +variable a_CO_3 equal f_ACOd1[3] + +compute BCOd1 all reduce sum f_Bterm_cfd5[1] f_Bterm_cfd5[2] f_Bterm_cfd5[3] +fix BCOd1 all ave/time 10 1 10 c_BCOd1[1] c_BCOd1[2] c_BCOd1[3] +variable b_CO_1 equal f_BCOd1[1] +variable b_CO_2 equal f_BCOd1[2] +variable b_CO_3 equal f_BCOd1[3] + +compute MCOd1 all reduce sum f_Massterm_cfd5 +fix MTCOd1 all ave/time 10 1 10 c_MCOd1 +variable mt_CO equal f_MTCOd1 + +fix printAterm all print ${WI} "${time} ${a_CO_1} ${a_CO_2} ${a_CO_3}" file Aterm.dat title "#time a_CO_1 aCO_2 a_CO_3" + +fix printBterm all print ${WI} "${time} ${b_CO_1} ${b_CO_2} ${b_CO_3}" file Bterm.dat title "#time b_CO_1 b_CO_2 b_CO_3" + +fix printMassTerm all print ${WI} "${time} ${mt_CO}" file MassTerm.dat title "#time mt_CO" + +# Print out fractional reduction for specific diameter ranges as well as total fractional reduction + +############### +# print out rate change of mass for gaseous reactant +compute dmdot all reduce sum f_dmA_cfd5[1] f_dmA_cfd5[2] f_dmA_cfd5[3] +fix dmA_val all ave/time 1 1 1 c_dmdot[1] c_dmdot[2] c_dmdot[3] +variable dmdot_1 equal f_dmA_val[1] +variable dmdot_2 equal f_dmA_val[2] +variable dmdot_3 equal f_dmA_val[3] + +fix printdmdot all print ${WI} "${time} ${dmdot_1} ${dmdot_2} ${dmdot_3}" file dmdot.dat title "#time dmdot_1 dmdot_2 dmdot_3" + +compute fr_1 all reduce sum f_fracRed[1] f_fracRed[2] f_fracRed[3] +fix fr_d1 all ave/time 1 1 1 c_fr_1[1] c_fr_1[2] c_fr_1[3] +variable fr_d1_1 equal f_fr_d1[1] +variable fr_d1_2 equal f_fr_d1[2] +variable fr_d1_3 equal f_fr_d1[3] + +# Calculate total fractional reduction to be written into the dump file for postProcessing/graphical representation +variable frOV_d1 equal 1/9*(f_fr_d1[3])+2/9*(f_fr_d1[2])+6/9*(f_fr_d1[1]) + +fix printfr1 all print ${WI} "${time} ${fr_d1_1} ${fr_d1_2} ${fr_d1_3} ${frOV_d1}" file fr_d1.dat title "#time fr_d1_1 fr_d1_2 fr_d1_3 fr_overall_d1" + +############################################### +## Check Layer Radii and Write them to files ### +compute layerRad1 all reduce sum f_LayerRelRadii[1] +fix redRad1 all ave/time 1 1 1 c_layerRad1 +variable rr1 equal f_redRad1 + +compute layerRad2 all reduce sum f_LayerRelRadii[2] +fix redRad2 all ave/time 1 1 1 c_layerRad2 +variable rr2 equal f_redRad2 + +compute layerRad3 all reduce sum f_LayerRelRadii[3] +fix redRad3 all ave/time 1 1 1 c_layerRad3 +variable rr3 equal f_redRad3 + +compute layerRad4 all reduce sum f_LayerRelRadii[4] +fix redRad4 all ave/time 1 1 1 c_layerRad4 +variable rr4 equal f_redRad4 + +fix printRelRadii all print ${WI} "${time} ${rr1} ${rr2} ${rr3} ${rr4}" file relRadii.dat title "#time relRad_1 relRad_2 relRad_3 relRad_4" +############### + +# screen output +compute rke all erotate/sphere +thermo_style custom step atoms ke c_rke vol +thermo 10 +thermo_modify lost ignore norm no +compute_modify thermo_temp dynamic yes + +dump dmp all custom 100 ../DEM/post/dump*.liggghts_run id type x y z vx vy vz fx fy fz radius mass f_fracRed[1] f_fracRed[2] f_fracRed[3] +run 1 diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/README b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/README new file mode 100644 index 00000000..6db9fda8 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/README @@ -0,0 +1,6 @@ +Keq W-> Fe + Keq_ = exp(2744.63/T-2.946); + M-> W + Keq_ = exp(-3585.64/T+4.58); + H-> M + Keq_ = exp(3968.37/T+3.94); diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/grepScript.sh b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/grepScript.sh new file mode 100755 index 00000000..ed6b811b --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/grepScript.sh @@ -0,0 +1,16 @@ +#!/bin/bash +#- source CFDEM env vars +. ~/.bashrc + +#- include functions +source $CFDEM_PROJECT_DIR/etc/functions.sh + +casePath="$(dirname "$(readlink -f ${BASH_SOURCE[0]})")" + +cd $casePath +grep -E 'pdensity' log_ISO4695 > pdensity.txt +grep -E 'porosity' log_ISO4695 > porosity.txt +grep -E 'active layers' log_ISO4695 > activeLayers.txt +grep -E 'rhoeff_' log_ISO4695 > rhoeff.txt +grep -E 'pmass' log_ISO4695 > pmass.txt +grep -E 'pdensity after mass reduction =' log_ISO4695 > densityARed.txt diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/parCFDDEMrun.sh b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/parCFDDEMrun.sh new file mode 100644 index 00000000..ec6c115f --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/parCFDDEMrun.sh @@ -0,0 +1,96 @@ +#!/bin/bash + +#===================================================================# +# allrun script for testcase as part of test routine +# run settlingTest CFD part +# Christoph Goniva - Feb. 2011 +#===================================================================# + +#- source CFDEM env vars +. ~/.bashrc + +#- include functions +source $CFDEM_PROJECT_DIR/etc/functions.sh + +#--------------------------------------------------------------------------------# +#- define variables +casePath="$(dirname "$(readlink -f ${BASH_SOURCE[0]})")" +logpath=$casePath +headerText="ISO4695" +logfileName="log_$headerText" +solverName="cfdemSolverRhoPimpleChem" +nrProcs="2" +machineFileName="none" # yourMachinefileName | none +debugMode="off" # on | off| strict +testHarnessPath="$CFDEM_TEST_HARNESS_PATH" +runOctave="false" +postproc="false" + +#--------------------------------------------------------------------------------# + +#- call function to run a parallel CFD-DEM case +parCFDDEMrun $logpath $logfileName $casePath $headerText $solverName $nrProcs $machineFileName $debugMode + + +if [ $runOctave == "true" ] + then + #------------------------------# + # octave + + #- change path + cd octave + + #- rmove old graph + rm cfdemSolverPiso_ErgunTestMPI.eps + + #- run octave + octave totalPressureDrop.m + + #- show plot + evince cfdemSolverPiso_ErgunTestMPI.eps + + #- copy log file to test harness + cp ../../$logfileName $testHarnessPath + cp cfdemSolverPiso_ErgunTestMPI.eps $testHarnessPath +fi + +if [ $postproc == "true" ] + then + + #- keep terminal open (if started in new terminal) + echo "simulation finished? ...press enter to proceed" + read + + #- get VTK data from liggghts dump file + cd $casePath/DEM/post + python -i $CFDEM_LPP_DIR/lpp.py dump*.liggghts_run + + #- get VTK data from CFD sim + cd $casePath/CFD + reconstructPar + foamToVTK #- serial run of foamToVTK + #source $CFDEM_SRC_DIR/lagrangian/cfdemParticle/etc/functions.sh #- include functions + #pseudoParallelRun "foamToVTK" $nrPostProcProcessors #- pseudo parallel run of foamToVTK + + #- start paraview + paraview + + #- keep terminal open (if started in new terminal) + echo "...press enter to clean up case" + echo "press Ctr+C to keep data" + read + +fi + +#- clean up case +#echo "deleting data at: $casePath :\n" +#source $WM_PROJECT_DIR/bin/tools/CleanFunctions +#cd $casePath/CFD +#cleanCase +#rm -r $casePath/CFD/clockData +#rm $casePath/DEM/post/*.* +#touch $casePath/DEM/post/.gitignore +#rm $casePath/DEM/post/restart/*.* +#rm $casePath/DEM/post/restart/liggghts.restartCFDEM* +#touch $casePath/DEM/post/restart/.gitignore +#echo "done" diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/parDEMrun.sh b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/parDEMrun.sh new file mode 100755 index 00000000..3b9653f8 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/parDEMrun.sh @@ -0,0 +1,30 @@ +#!/bin/bash + +#===================================================================# +# DEMrun script for ErgunTestMPI testcase +# init ErgunTestMPI +# Christoph Goniva - July 2014 +#===================================================================# + +#- source CFDEM env vars +. ~/.bashrc + +#- include functions +source $CFDEM_PROJECT_DIR/etc/functions.sh + +echo "starting DEM run in parallel..." +#--------------------------------------------------------------------------------# +#- define variables +casePath="$(dirname "$(readlink -f ${BASH_SOURCE[0]})")" +logpath="$casePath" +headerText="run_liggghts_init_DEM" +logfileName="log_$headerText" +solverName="in.liggghts_init" +nrProcs=2 +machineFileName="none" +debugMode="off" +#--------------------------------------------------------------------------------# + +#- call function to run DEM case +parDEMrun $logpath $logfileName $casePath $headerText $solverName $nrProcs $machineFileName $debugMode + diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/postrun.sh b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/postrun.sh new file mode 100755 index 00000000..06624406 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/postrun.sh @@ -0,0 +1,19 @@ +#!/bin/bash +#- source CFDEM env vars +. ~/.bashrc + +#- include functions +source $CFDEM_PROJECT_DIR/etc/functions.sh + +casePath="$(dirname "$(readlink -f ${BASH_SOURCE[0]})")" + +#- get VTK data from liggghts dump file +cd $casePath/DEM/post +python -i $CFDEM_LPP_DIR/lpp.py dump*.liggghts_run + +#- get VTK data from CFD sim +cd $casePath/CFD +reconstructPar +foamToVTK + + diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/prerun.sh b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/prerun.sh new file mode 100755 index 00000000..7b370ae7 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/prerun.sh @@ -0,0 +1,13 @@ +#!/bin/bash + +#- define variables +casePath="$(dirname "$(readlink -f ${BASH_SOURCE[0]})")" + +# check if mesh was built +if [ -f "$casePath/CFD/constant/polyMesh/boundary" ]; then + echo "mesh was built before - using old mesh" +else + echo "mesh needs to be built" + cd $casePath/CFD + blockMesh +fi \ No newline at end of file diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/run.config b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/run.config new file mode 100644 index 00000000..9091b486 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/run.config @@ -0,0 +1,19 @@ +{ + "type" : "CFDEMcoupling", + "runs" : [ + { + "name" : "liggghts-init", + "input_script" : "DEM/in.liggghts_init", + "type" : "liggghts/serial" + }, + { + "name" : "cfdemrun", + "depends_on" : "liggghts-init", + "solver" : "cfdemSolverPiso", + "type" : "CFDEMcoupling/mpi", + "nprocs" : 2, + "pre_scripts" : ["prerun.sh"], + "post_scripts" : ["postrun.sh"] + } + ] +} diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/runLiseScript b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/runLiseScript new file mode 100644 index 00000000..06278633 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/runLiseScript @@ -0,0 +1,19 @@ +#!/bin/bash +#PBS -o fb.out +#PBS -V +#PBS -k oe +#PBS -j oe +#PBS -l nodes=1:ppn=4 +#PBS -l walltime=24:00:00 +#PBS -m ae +#PBS -M mustafa_efe.kinaci@jku.at + +source ~/.bashrc +source /apps/openfoam-4.0/OpenFOAM-4.x-version-4.0/etc/bashrc +source $HOME/CFDEM/CFDEMcoupling/etc/bashrc +module add icc gcc + +caseDir=$HOME/CFDEM/CFDEMcoupling/tutorials/cfdemSolverRhoPimpleChem/ISO4695 +cd $caseDir + +./Allrun.sh From f3135c083efc0445f8935a34c286a38c551f8594 Mon Sep 17 00:00:00 2001 From: ekinaci Date: Wed, 18 Sep 2019 17:28:38 +0200 Subject: [PATCH 64/92] change fix densities to global in the tutorials. --- .../SingleParticleCases/30CO6H2_Hematite/DEM/in.liggghts_run | 2 +- .../SingleParticleCases/33CO3H2_Hematite/DEM/in.liggghts_run | 2 +- .../SingleParticleCases/GOD0k1_Hematite/DEM/in.liggghts_run | 2 +- .../SingleParticleCases/ISO4695/DEM/in.liggghts_run | 2 +- 4 files changed, 4 insertions(+), 4 deletions(-) diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/DEM/in.liggghts_run b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/DEM/in.liggghts_run index bee1df69..c5a4fc86 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/DEM/in.liggghts_run +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/DEM/in.liggghts_run @@ -78,7 +78,7 @@ fix LayerRelRadii all property/atom relRadii vector yes no no 1.0 0.998 0.9 ### define fix for mass layer - initial testing fix LayerMasses all property/atom massLayer vector yes no no 0. 0. 0. 0. -fix LayerDennsities all property/atom density_all vector yes no no 7870. 5740. 5170. 5240. +fix LayerDennsities all property/global density_all vector 7870. 5740. 5170. 5240. ## define fix for rho_eff and fracRed - initialize as zero fix fracRed all property/atom fracRed_all vector yes no no 0. 0. 0. diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/DEM/in.liggghts_run b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/DEM/in.liggghts_run index bee1df69..c5a4fc86 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/DEM/in.liggghts_run +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/DEM/in.liggghts_run @@ -78,7 +78,7 @@ fix LayerRelRadii all property/atom relRadii vector yes no no 1.0 0.998 0.9 ### define fix for mass layer - initial testing fix LayerMasses all property/atom massLayer vector yes no no 0. 0. 0. 0. -fix LayerDennsities all property/atom density_all vector yes no no 7870. 5740. 5170. 5240. +fix LayerDennsities all property/global density_all vector 7870. 5740. 5170. 5240. ## define fix for rho_eff and fracRed - initialize as zero fix fracRed all property/atom fracRed_all vector yes no no 0. 0. 0. diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/DEM/in.liggghts_run b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/DEM/in.liggghts_run index 99b5bb1b..f638202b 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/DEM/in.liggghts_run +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/DEM/in.liggghts_run @@ -74,7 +74,7 @@ fix LayerRelRadii all property/atom relRadii vector yes no no 1.0 0.998 0.9 ### define fix for mass layer - initial testing fix LayerMasses all property/atom massLayer vector yes no no 0. 0. 0. 0. -fix LayerDennsities all property/atom density_all vector yes no no 7870. 5740. 5170. 5240. +fix LayerDennsities all property/global density_all vector 7870. 5740. 5170. 5240. ## define fix for rho_eff and fracRed - initialize as zero fix fracRed all property/atom fracRed_all vector yes no no 0. 0. 0. diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/DEM/in.liggghts_run b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/DEM/in.liggghts_run index 99b5bb1b..f638202b 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/DEM/in.liggghts_run +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/DEM/in.liggghts_run @@ -74,7 +74,7 @@ fix LayerRelRadii all property/atom relRadii vector yes no no 1.0 0.998 0.9 ### define fix for mass layer - initial testing fix LayerMasses all property/atom massLayer vector yes no no 0. 0. 0. 0. -fix LayerDennsities all property/atom density_all vector yes no no 7870. 5740. 5170. 5240. +fix LayerDennsities all property/global density_all vector 7870. 5740. 5170. 5240. ## define fix for rho_eff and fracRed - initialize as zero fix fracRed all property/atom fracRed_all vector yes no no 0. 0. 0. From df71bf5522aa38dc9904e818babea7c3a6315bbb Mon Sep 17 00:00:00 2001 From: ekinaci Date: Wed, 18 Sep 2019 17:48:19 +0200 Subject: [PATCH 65/92] Remove obsolete tutorial case --- .../Spreitzer_R2/Allclean.sh | 36 -- .../Spreitzer_R2/Allrun.sh | 49 --- .../Spreitzer_R2/CFD/0/CO | 45 --- .../Spreitzer_R2/CFD/0/CO2 | 45 --- .../Spreitzer_R2/CFD/0/H2 | 45 --- .../Spreitzer_R2/CFD/0/H2O | 46 --- .../Spreitzer_R2/CFD/0/Ksl | 41 --- .../Spreitzer_R2/CFD/0/N2 | 41 --- .../Spreitzer_R2/CFD/0/Qsource | 41 --- .../Spreitzer_R2/CFD/0/T | 41 --- .../Spreitzer_R2/CFD/0/U | 42 --- .../Spreitzer_R2/CFD/0/Us | 40 --- .../Spreitzer_R2/CFD/0/alphat | 39 -- .../Spreitzer_R2/CFD/0/dSmoothing | 38 -- .../Spreitzer_R2/CFD/0/epsilon | 43 --- .../Spreitzer_R2/CFD/0/k | 43 --- .../Spreitzer_R2/CFD/0/mut | 40 --- .../Spreitzer_R2/CFD/0/nut | 44 --- .../Spreitzer_R2/CFD/0/p | 41 --- .../Spreitzer_R2/CFD/0/p.org | 42 --- .../Spreitzer_R2/CFD/0/rho | 40 --- .../Spreitzer_R2/CFD/0/voidfraction | 40 --- .../CFD/constant/chemistryProperties | 41 --- .../CFD/constant/combustionProperties | 33 -- .../CFD/constant/couplingProperties | 339 ------------------ .../Spreitzer_R2/CFD/constant/foam.dat | 126 ------- .../Spreitzer_R2/CFD/constant/foam.inp | 14 - .../Spreitzer_R2/CFD/constant/g | 22 -- .../CFD/constant/liggghtsCommands | 43 --- .../CFD/constant/polyMesh/blockMeshDict | 77 ---- .../CFD/constant/thermophysicalProperties | 67 ---- .../CFD/constant/transportProperties | 44 --- .../CFD/constant/turbulenceProperties | 20 -- .../Spreitzer_R2/CFD/fractionalReduction.plt | 15 - .../Spreitzer_R2/CFD/system/controlDict | 201 ----------- .../Spreitzer_R2/CFD/system/controlDict_test | 201 ----------- .../Spreitzer_R2/CFD/system/decomposeParDict | 46 --- .../CFD/system/decomposeParDict_test | 45 --- .../Spreitzer_R2/CFD/system/fvOptions | 78 ---- .../Spreitzer_R2/CFD/system/fvSchemes | 80 ----- .../Spreitzer_R2/CFD/system/fvSolution | 127 ------- .../Spreitzer_R2/CFD/system/probesDict | 57 --- 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tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/plotResidual.sh delete mode 100755 tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/postrun.sh delete mode 100755 tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/prerun.sh delete mode 100644 tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/run.config diff --git a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/Allclean.sh b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/Allclean.sh deleted file mode 100644 index b5ffc217..00000000 --- a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/Allclean.sh +++ /dev/null @@ -1,36 +0,0 @@ -#!/bin/sh -#cd ${0%/*} || exit 1 # run from this directory - -# Source tutorial run functions -. $WM_PROJECT_DIR/bin/tools/CleanFunctions -source $CFDEM_PROJECT_DIR/etc/functions.sh - -#- define variables -casePath="$(dirname "$(readlink -f ${BASH_SOURCE[0]})")" -cd $casePath/CFD -cleanCase -# rm $casePath/CFD/rmass*.dat -#rm $casePath/CFD/*.dat -#rm $casePath/CFD/*.txt -rm $casePath/log* -#rm $casePath/run_error.log -#cp -R 0/Org/p 0/p -#cp -R 0/Org/U 0/U -#cp -R 0/Org/Us 0/Us -#cp -R 0/Org/phiIB 0/phiIB -#cp -R 0/Org/voidfraction 0/voidfraction - -rm $casePath/DEM/post/liggghts_run* -rm $casePath/DEM/post/dump.liggghts_run -#mkdir $casePath/DEM/post -#mkdir $casePath/DEM/post/restart -#cd $casePath/DEM/post/restart -#touch liggghts.restart - -## if postproc is activated (in fix_chem_shrink) -#rm $casePath/changeOfCO2 -#rm $casePath/changeOfO2 -#rm $casePath/rhogas_ -#rm $casePath/pmass_ - -# ----------------------------------------------------------------- end-of-file diff --git a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/Allrun.sh b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/Allrun.sh deleted file mode 100755 index 0f5569b2..00000000 --- a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/Allrun.sh +++ /dev/null @@ -1,49 +0,0 @@ -#!/bin/bash - -#===================================================================# -# allrun script for testcase -# M. Efe Kinaci - Sep 2018 -#===================================================================# - -#- source CFDEM env vars -. ~/.bashrc - -#- include functions -source $CFDEM_PROJECT_DIR/etc/functions.sh - -#- define variables -casePath="$(dirname "$(readlink -f ${BASH_SOURCE[0]})")" -export casePath - -#cd $casePath/CFD -#blockMesh - -#$casePath/parDEMrun.sh - -#bash $casePath/parCFDDEMrun.sh - -export casePath -# check if mesh was built -if [ -f "$casePath/CFD/constant/polyMesh/points" ]; then - echo "mesh was built before - using old mesh" -else - echo "mesh needs to be built" - cd $casePath/CFD - blockMesh -fi - -if [ -f "$casePath/DEM/post/restart/liggghts.restart" ]; then - echo "LIGGGHTS init was run before - using existing restart file" -else - #- run DEM in new terminal - $casePath/parDEMrun.sh -fi - -#echo "Run Simulation" -#cd $casePath/CFD -#decomposePar -#mpirun -np $nrProcs $solverName -parallel | tee -a $logfileName - -#- run parallel CFD-DEM in new terminal -#gnome-terminal -e "bash $casePath/parCFDDEMrun.sh" -bash $casePath/parCFDDEMrun.sh diff --git a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/0/CO b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/0/CO deleted file mode 100644 index 89756f9a..00000000 --- a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/0/CO +++ /dev/null @@ -1,45 +0,0 @@ -/*--------------------------------*- C++ -*----------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 2.3.0 | -| \\ / A nd | Web: www.OpenFOAM.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ -FoamFile -{ - version 2.0; - format ascii; - class volScalarField; - location "0"; - object CO; -} -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -dimensions [0 0 0 0 0 0 0]; - -internalField uniform 0.3801847328; - -boundaryField -{ - side-walls - { - type zeroGradient; - } - - inlet - { - type fixedValue; - value uniform 0.3801847328; - } - - outlet - { - type zeroGradient; -/* type inletOutlet; - value $internalField; - inletValue uniform 0.;*/ - } -} - - -// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/0/CO2 b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/0/CO2 deleted file mode 100644 index df317123..00000000 --- a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/0/CO2 +++ /dev/null @@ -1,45 +0,0 @@ -/*--------------------------------*- C++ -*----------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 2.3.0 | -| \\ / A nd | Web: www.OpenFOAM.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ -FoamFile -{ - version 2.0; - format ascii; - class volScalarField; - location "0"; - object CO2; -} -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -dimensions [0 0 0 0 0 0 0]; - -internalField uniform 0.4376348444; - -boundaryField -{ - side-walls - { - type zeroGradient; - } - - inlet - { - type fixedValue; - value uniform 0.4376348444; - } - - outlet - { - type zeroGradient; - /*type inletOutlet; - value $internalField; - inletValue uniform 0.;*/ - } -} - - -// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/0/H2 b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/0/H2 deleted file mode 100644 index 5cfb0ef4..00000000 --- a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/0/H2 +++ /dev/null @@ -1,45 +0,0 @@ -/*--------------------------------*- C++ -*----------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 2.3.0 | -| \\ / A nd | Web: www.OpenFOAM.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ -FoamFile -{ - version 2.0; - format ascii; - class volScalarField; - location "0"; - object H2; -} -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -dimensions [0 0 0 0 0 0 0]; - -internalField uniform 0.0116562393; - -boundaryField -{ - side-walls - { - type zeroGradient; - } - - inlet - { - type fixedValue; - value uniform 0.0116562393; - } - - outlet - { - type zeroGradient; -/* type inletOutlet; - value $internalField; - inletValue uniform 0.; */ - } -} - - -// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/0/H2O b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/0/H2O deleted file mode 100644 index 0b6320d0..00000000 --- a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/0/H2O +++ /dev/null @@ -1,46 +0,0 @@ -/*--------------------------------*- C++ -*----------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 2.3.0 | -| \\ / A nd | Web: www.OpenFOAM.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ -FoamFile -{ - version 2.0; - format ascii; - class volScalarField; - location "0"; - object H2O; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -dimensions [0 0 0 0 0 0 0]; - -internalField uniform 0.0444583296; - -boundaryField -{ - side-walls - { - type zeroGradient; - } - - inlet - { - type fixedValue; - value uniform 0.0444583296; - } - - outlet - { - type zeroGradient; -/* type inletOutlet; - value $internalField; - inletValue uniform 0.; */ - } -} - - -// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/0/Ksl b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/0/Ksl deleted file mode 100644 index 86eabd42..00000000 --- a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/0/Ksl +++ /dev/null @@ -1,41 +0,0 @@ -/*--------------------------------*- C++ -*----------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.6 | -| \\ / A nd | Web: www.OpenFOAM.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ -FoamFile -{ - version 2.0; - format ascii; - class volScalarField; - location "0"; - object Ksl; -} -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -dimensions [1 -3 -1 0 0 0 0]; - -internalField uniform 0.0; - -boundaryField -{ - side-walls - { - type zeroGradient; - } - - inlet - { - type zeroGradient; - } - - outlet - { - type zeroGradient; - } -} - - -// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/0/N2 b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/0/N2 deleted file mode 100644 index 26edacef..00000000 --- a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/0/N2 +++ /dev/null @@ -1,41 +0,0 @@ -/*--------------------------------*- C++ -*----------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 2.3.0 | -| \\ / A nd | Web: www.OpenFOAM.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ -FoamFile -{ - version 2.0; - format ascii; - class volScalarField; - location "0"; - object N2; -} -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -dimensions [0 0 0 0 0 0 0]; - -internalField uniform 0.1260658538; - -boundaryField -{ - side-walls - { - type zeroGradient; - } - - inlet - { - type fixedValue; - value uniform 0.1260658538; - } - - outlet - { - type zeroGradient; - } -} - -// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/0/Qsource b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/0/Qsource deleted file mode 100644 index f8bb2a1c..00000000 --- a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/0/Qsource +++ /dev/null @@ -1,41 +0,0 @@ -/*--------------------------------*- C++ -*----------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 2.3.0 | -| \\ / A nd | Web: www.OpenFOAM.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ -FoamFile -{ - version 2.0; - format ascii; - class volScalarField; - location "0"; - object Qsource; -} -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -dimensions [1 -1 -3 0 0 0 0]; - -internalField uniform 0; - -boundaryField -{ - side-walls - { - type zeroGradient; - } - - inlet - { - type zeroGradient; - } - - outlet - { - type zeroGradient; - } -} - - -// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/0/T b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/0/T deleted file mode 100644 index 2f2c561e..00000000 --- a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/0/T +++ /dev/null @@ -1,41 +0,0 @@ -/*--------------------------------*- C++ -*----------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 2.3.0 | -| \\ / A nd | Web: www.OpenFOAM.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ -FoamFile -{ - version 2.0; - format ascii; - class volScalarField; - location "0"; - object T; -} -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -dimensions [0 0 0 1 0 0 0]; - -internalField uniform 1023.15; - -boundaryField -{ - side-walls - { - type zeroGradient; - } - - inlet - { - type fixedValue; - value uniform 1023.15; - } - - outlet - { - type zeroGradient; - } -} - -// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/0/U b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/0/U deleted file mode 100644 index b53b755d..00000000 --- a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/0/U +++ /dev/null @@ -1,42 +0,0 @@ -/*--------------------------------*- C++ -*----------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 2.3.0 | -| \\ / A nd | Web: www.OpenFOAM.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ -FoamFile -{ - version 2.0; - format ascii; - class volVectorField; - location "0"; - object U; -} -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -dimensions [0 1 -1 0 0 0 0]; - -internalField uniform (0.0 0.25 0.0); - -boundaryField -{ - side-walls - { - type fixedValue; - value uniform (0 0 0); - } - inlet - { - type fixedValue; - value uniform (0.0 0.25 0.0); - } - - outlet - { - type zeroGradient; - } -} - - -// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/0/Us b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/0/Us deleted file mode 100644 index 541a2ec5..00000000 --- a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/0/Us +++ /dev/null @@ -1,40 +0,0 @@ -/*--------------------------------*- C++ -*----------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.6 | -| \\ / A nd | Web: www.OpenFOAM.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ -FoamFile -{ - version 2.0; - format ascii; - class volVectorField; - location "0"; - object Us; -} -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -dimensions [0 1 -1 0 0 0 0]; - -internalField uniform (0 0 0); - -boundaryField -{ - side-walls - { - type zeroGradient; - } - - inlet - { - type zeroGradient; - } - - outlet - { - type zeroGradient; - } -} - -// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/0/alphat b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/0/alphat deleted file mode 100644 index 8106e0b0..00000000 --- a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/0/alphat +++ /dev/null @@ -1,39 +0,0 @@ -/*--------------------------------*- C++ -*----------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 2.3.0 | -| \\ / A nd | Web: www.OpenFOAM.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ -FoamFile -{ - version 2.0; - format ascii; - class volScalarField; - location "0"; - object alphat; -} -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -dimensions [1 -1 -1 0 0 0 0]; - -internalField uniform 0; - -boundaryField -{ - side-walls - { - type zeroGradient; - } - inlet - { - type zeroGradient; - } - outlet - { - type zeroGradient; - } -} - - -// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/0/dSmoothing b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/0/dSmoothing deleted file mode 100644 index 501d41e8..00000000 --- a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/0/dSmoothing +++ /dev/null @@ -1,38 +0,0 @@ -/*--------------------------------*- C++ -*----------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.6 | -| \\ / A nd | Web: http://www.OpenFOAM.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ -FoamFile -{ - version 2.0; - format ascii; - class volScalarField; - object dSmoothing; -} -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -dimensions [0 1 0 0 0 0 0]; - -internalField uniform 0; - -boundaryField -{ - side-walls - { - type zeroGradient; - } - - inlet - { - type zeroGradient; - } - - outlet - { - type zeroGradient; - } -} -// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/0/epsilon b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/0/epsilon deleted file mode 100644 index dad5dac8..00000000 --- a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/0/epsilon +++ /dev/null @@ -1,43 +0,0 @@ -/*--------------------------------*- C++ -*----------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 2.3.0 | -| \\ / A nd | Web: www.OpenFOAM.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ -FoamFile -{ - version 2.0; - format ascii; - class volScalarField; - location "0"; - object epsilon; -} -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -dimensions [0 2 -3 0 0 0 0]; - -internalField uniform 0.003; - -boundaryField -{ - side-walls - { - type epsilonWallFunction; - value uniform 0.003; - } - inlet - { - type zeroGradient; - } - outlet - { - /*type inletOutlet; - inletValue uniform 0.003; - value uniform 0.003;*/ - type zeroGradient; - } -} - - -// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/0/k b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/0/k deleted file mode 100644 index ce1670ab..00000000 --- a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/0/k +++ /dev/null @@ -1,43 +0,0 @@ -/*--------------------------------*- C++ -*----------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 2.3.0 | -| \\ / A nd | Web: www.OpenFOAM.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ -FoamFile -{ - version 2.0; - format ascii; - class volScalarField; - location "0"; - object k; -} -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -dimensions [0 2 -2 0 0 0 0]; - -internalField uniform 0.001; - -boundaryField -{ - side-walls - { - type kqRWallFunction; - value uniform 0.001; - } - inlet - { - type zeroGradient; - } - outlet - { - /*type inletOutlet; - inletValue uniform 0.001; - value uniform 0.001;*/ - type zeroGradient; - } -} - - -// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/0/mut b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/0/mut deleted file mode 100644 index f90a472b..00000000 --- a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/0/mut +++ /dev/null @@ -1,40 +0,0 @@ -/*--------------------------------*- C++ -*----------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 2.3.0 | -| \\ / A nd | Web: www.OpenFOAM.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ -FoamFile -{ - version 2.0; - format ascii; - class volScalarField; - location "0"; - object mut; -} -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -dimensions [1 -1 -1 0 0 0 0]; - -internalField uniform 0; - -boundaryField -{ - side-walls - { - type zeroGradient; - } - inlet - { - type zeroGradient; - } - - outlet - { - type zeroGradient; - } -} - - -// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/0/nut b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/0/nut deleted file mode 100644 index e76a04cf..00000000 --- a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/0/nut +++ /dev/null @@ -1,44 +0,0 @@ -/*--------------------------------*- C++ -*----------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.6 | -| \\ / A nd | Web: www.OpenFOAM.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ -FoamFile -{ - version 2.0; - format ascii; - class volScalarField; - location "0"; - object nut; -} -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -dimensions [0 2 -1 0 0 0 0]; - -internalField uniform 0; - -boundaryField -{ - side-walls - { - type fixedValue; - value uniform 0; - } - - inlet - { - type calculated; - value uniform 0; - } - - outlet - { - type calculated; - value uniform 0; - } -} - - -// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/0/p b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/0/p deleted file mode 100644 index d4f7eccc..00000000 --- a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/0/p +++ /dev/null @@ -1,41 +0,0 @@ -/*--------------------------------*- C++ -*----------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 2.3.0 | -| \\ / A nd | Web: www.OpenFOAM.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ -FoamFile -{ - version 2.0; - format ascii; - class volScalarField; - location "0"; - object p; -} -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -dimensions [1 -1 -2 0 0 0 0]; - -internalField uniform 140000; - -boundaryField -{ - side-walls - { - type zeroGradient; - } - inlet - { - type zeroGradient; - } - - outlet - { - type fixedValue; - value uniform 140000; - } -} - - -// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/0/p.org b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/0/p.org deleted file mode 100644 index 84751b08..00000000 --- a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/0/p.org +++ /dev/null @@ -1,42 +0,0 @@ -/*--------------------------------*- C++ -*----------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 2.3.0 | -| \\ / A nd | Web: www.OpenFOAM.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ -FoamFile -{ - version 2.0; - format ascii; - class volScalarField; - location "0"; - object p; -} -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -dimensions [1 -1 -2 0 0 0 0]; - -internalField uniform 140000; - -boundaryField -{ - side-walls - { - type zeroGradient; - } - - inlet - { - type zeroGradient; - } - - outlet - { - type fixedValue; - value uniform 140000; - } -} - - -// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/0/rho b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/0/rho deleted file mode 100644 index 95e357af..00000000 --- a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/0/rho +++ /dev/null @@ -1,40 +0,0 @@ -/*--------------------------------*- C++ -*----------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.6 | -| \\ / A nd | Web: http://www.OpenFOAM.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ -FoamFile -{ - version 2.0; - format ascii; - class volScalarField; - object rho; -} -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -dimensions [1 -3 0 0 0 0 0]; - -internalField uniform 1.58; - -boundaryField -{ - side-walls - { - type zeroGradient; - } - - inlet - { - type zeroGradient; - } - - outlet - { - type zeroGradient; - } -} - - -// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/0/voidfraction b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/0/voidfraction deleted file mode 100644 index e224e072..00000000 --- a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/0/voidfraction +++ /dev/null @@ -1,40 +0,0 @@ -/*--------------------------------*- C++ -*----------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.6 | -| \\ / A nd | Web: www.OpenFOAM.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ -FoamFile -{ - version 2.0; - format ascii; - class volScalarField; - location "0"; - object voidfraction; -} -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -dimensions [0 0 0 0 0 0 0]; - -internalField uniform 1; - -boundaryField -{ - side-walls - { - type zeroGradient; - } - - inlet - { - type zeroGradient; - } - - outlet - { - type zeroGradient; - } -} - -// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/constant/chemistryProperties b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/constant/chemistryProperties deleted file mode 100644 index 9d0243b3..00000000 --- a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/constant/chemistryProperties +++ /dev/null @@ -1,41 +0,0 @@ -/*--------------------------------*- C++ -*----------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 2.3.0 | -| \\ / A nd | Web: www.OpenFOAM.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ -FoamFile -{ - version 2.0; - format ascii; - class dictionary; - location "constant"; - object chemistryProperties; -} -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -chemistry off; //on; - -chemistryType -{ - chemistrySolver ode; - chemistryThermo rho; -} - -initialChemicalTimeStep 1e-07; - -EulerImplicitCoeffs -{ - cTauChem 0.05; - equilibriumRateLimiter off; -} - -odeCoeffs -{ - solver seulex; - eps 0.05; -} - - -// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/constant/combustionProperties b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/constant/combustionProperties deleted file mode 100644 index 5155f44c..00000000 --- a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/constant/combustionProperties +++ /dev/null @@ -1,33 +0,0 @@ -/*--------------------------------*- C++ -*----------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 2.3.0 | -| \\ / A nd | Web: www.OpenFOAM.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ -FoamFile -{ - version 2.0; - format ascii; - class dictionary; - location "constant"; - object combustionProperties; -} -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -combustionModel PaSR; //PaSR; - -active false; //true; - -noCombustionCoeffs -{ -} - -PaSRCoeffs -{ - Cmix 1.0; - turbulentReaction off; -} - - -// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/constant/couplingProperties b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/constant/couplingProperties deleted file mode 100644 index 70f5101a..00000000 --- a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/constant/couplingProperties +++ /dev/null @@ -1,339 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class dictionary; - object couplingProperties; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -//===========================================================================// -// sub-models & settings - -modelType "A"; // A or B - -couplingInterval 50; - -voidFractionModel divided; - -locateModel engine;//turboEngineM2M;// - -meshMotionModel noMeshMotion; - -regionModel allRegion; - -IOModel basicIO; //sophIO; - -probeModel off; - -dataExchangeModel twoWayMPI;//twoWayM2M;//twoWayFiles;//oneWayVTK;// - -averagingModel dense; - -clockModel off; //standardClock;// - -smoothingModel off;// localPSizeDiffSmoothing;// constDiffSmoothing; // - -forceModels -( - GidaspowDrag - gradPForce - viscForce -); - -energyModels -( - // heatTransferGunn - //reactionHeat -); - -thermCondModel off; //SyamlalThermCond; - -chemistryModels -( - species - diffusionCoefficients - massTransferCoeff - //off -); - -momCoupleModels -( - implicitCouple -); - -turbulenceModelType "turbulenceProperties";//"LESProperties";// - -//===========================================================================// -// sub-model properties -reactionHeatProps -{ - reactionHeatName "reactionHeat"; -} - -heatTransferGunnProps -{ - partTempName "Temp"; - partHeatFluxName "convectiveHeatFlux"; - calcPartTempField true; - partRefTemp 1023; - verbose false; -} - -speciesProps -{ - ChemistryFile "$FOAM_CASE/constant/foam.inp"; - Nevery 1; - verbose false; -} - -diffusionCoefficientsProps -{ - verbose false; - ChemistryFile "$FOAM_CASE/constant/foam.inp"; - diffusantGasNames ( CO - H2 - ); -} - -massTransferCoeffProps -{ - verbose false; -} - -reactantPerParticleProps -{ - -} - -SyamlalThermCondProps -{ - voidfractionFieldName "voidfraction"; - rhoFieldName "rho"; -} - -LaEuScalarTempProps -{ - velFieldName "U"; - tempFieldName "T"; - voidfractionFieldName "voidfraction"; - partTempName "Temp"; - partHeatFluxName "convectiveHeatFlux"; - lambda 0.0256; - Cp 1007; -} - -localPSizeDiffSmoothingProps -{ - lowerLimit 0.1; - upperLimit 1e10; - dSmoothingLength 1.5e-3; - Csmoothing 1.0; -} - -constDiffSmoothingProps -{ - lowerLimit 0.1; - upperLimit 1e10; - smoothingLength 1.5e-3; -} - -implicitCoupleProps -{ - velFieldName "U"; - granVelFieldName "Us"; - voidfractionFieldName "voidfraction"; -} - -ArchimedesProps -{ - gravityFieldName "g"; -} - -gradPForceProps -{ - pFieldName "p"; - voidfractionFieldName "voidfraction"; - velocityFieldName "U"; - interpolation true; -} - -viscForceProps -{ - velocityFieldName "U"; - interpolation true; -} - -volWeightedAverageProps -{ - scalarFieldNames - ( - voidfraction - ); - vectorFieldNames - ( - ); - upperThreshold 0.999; - lowerThreshold 0; - verbose true; -} - -totalMomentumExchangeProps -{ - implicitMomExFieldName "Ksl"; - explicitMomExFieldName "none"; - fluidVelFieldName "U"; - granVelFieldName "Us"; -} - -GidaspowDragProps -{ - verbose true; - velFieldName "U"; - granVelFieldName "Us"; - voidfractionFieldName "voidfraction"; - interpolation true; - phi 1; -} - -DEMbasedDragProps -{ - velFieldName "U"; - voidfractionFieldName "voidfraction"; -} - -DiFeliceDragProps -{ - //verbose true; - velFieldName "U"; - voidfractionFieldName "voidfraction"; - granVelFieldName "Us"; - interpolation true; -} - -KochHillDragProps -{ - verbose true; - velFieldName "U"; - voidfractionFieldName "voidfraction"; - interpolation true; - //forceSubModels - //( - // ImExCorr - //); - implForceDEM true; - //implForceDEMaccumulated true; - //explicitCorr true; -} - -BeetstraDragProps -{ - velFieldName "U"; - gravityFieldName "g"; - rhoParticle 2000.; - voidfractionFieldName "voidfraction"; - interpolation ; - useFilteredDragModel ; - useParcelSizeDependentFilteredDrag ; - k 0.05; - aLimit 0.0; -// verbose true; -} - -RongDragProps -{ - verbose true; - velFieldName "U"; - voidfractionFieldName "voidfraction"; - interpolation true; - implForceDEM true; - implForceDEMaccumulated true; - granVelFieldName "Us"; -} - -virtualMassForceProps -{ - velFieldName "U"; -} - -particleCellVolumeProps -{ - upperThreshold 0.999; - lowerThreshold 0.; - verbose true; -} - -fieldStoreProps -{ - scalarFieldNames - ( - ); - - vectorFieldNames - ( - "U" - ); -} - -oneWayVTKProps -{ - couplingFilename "vtk_out%4.4d.vtk"; - maxNumberOfParticles 30000; -} - -twoWayFilesProps -{ - maxNumberOfParticles 10100; -} - -centreProps -{ - alphaMin 0.1; -} - -engineProps -{ - treeSearch true; -} - -turboEngineM2MProps -{ - turboEngineProps - { - treeSearch true; - } -} - -dividedProps -{ - alphaMin 0.01; - scaleUpVol 1.0; -} - -twoWayMPIProps -{ - liggghtsPath "../DEM/in.liggghts_run"; -} - -twoWayM2MProps -{ - maxNumberOfParticles 10100; - liggghtsPath "../DEM/in.liggghts_run"; -} -// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/constant/foam.dat b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/constant/foam.dat deleted file mode 100644 index 9c8376f6..00000000 --- a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/constant/foam.dat +++ /dev/null @@ -1,126 +0,0 @@ -/*--------------------------------*- C++ -*----------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 2.3.0 | -| \\ / A nd | Web: www.OpenFOAM.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ -FoamFile -{ - version 2.0; - format ascii; - class dictionary; - location "constant"; - object foam.dat; -} -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // -H2 -{ - specie - { - nMoles 1; - molWeight 2.02; - } - thermodynamics - { - Tlow 200; - Thigh 6000; - Tcommon 1000; - highCpCoeffs ( 2.932831E+00 8.265980E-04 -1.464006E-07 1.540985E-11 -6.887962E-16 -8.130558E+02 -1.024316E+00); - lowCpCoeffs ( 2.344303E+00 7.980425E-03 -1.947792E-05 2.015697E-08 -7.376029E-12 -9.179241E+02 6.830022E-01); - } - transport - { - As 1.67212e-06; - Ts 170.6; - } -} -H2O -{ - specie - { - nMoles 1; - molWeight 18.015; - } - thermodynamics - { - Tlow 200; - Thigh 6000; - Tcommon 1000; - highCpCoeffs ( 2.677039E+00 2.973182E-03 -7.737689E-07 9.443351E-11 -4.268999E-15 -2.988589E+04 6.882550E+00); - lowCpCoeffs ( 4.198635E+00 -2.036402E-03 6.520342E-06 -5.487927E-09 1.771968E-12 -3.029373E+04 -8.490090E-01); - } - transport - { - As 1.67212e-06; - Ts 170.672; - } -} - -CO -{ - specie - { - nMoles 1; - molWeight 28.01; - } - thermodynamics - { - Tlow 200; - Thigh 6000; - Tcommon 1000; - highCpCoeffs ( 3.048486E+00 1.351728E-03 -4.857941E-07 7.885364E-11 -4.698075E-15 -1.426612E+04 6.017098E+00 ); - lowCpCoeffs ( 3.579534E+00 -6.103537E-04 1.016814E-06 9.070059E-10 -9.044245E-13 -1.434409E+04 3.508409E+00 ); - } - transport - { - As 1.67212e-06; - Ts 170.672; - } -} - -CO2 -{ - specie - { - nMoles 1; - molWeight 44.01; - } - thermodynamics - { - Tlow 200; - Thigh 6000; - Tcommon 1000; - highCpCoeffs ( 4.636511E+00 2.741457E-03 -9.958976E-07 1.603867E-10 -9.161986E-15 -4.902490E+04 -1.934896E+00 ); - lowCpCoeffs ( 2.356813E+00 8.984130E-03 -7.122063E-06 2.457301E-09 -1.428855E-13 -4.837197E+04 9.900904E+00 ); - } - transport - { - As 1.67212e-06; - Ts 170.6; - } -} - -N2 -{ - specie - { - nMoles 1; - molWeight 28.0134; - } - thermodynamics - { - Tlow 200; - Thigh 6000; - Tcommon 1000; - highCpCoeffs ( 2.952541E+00 1.396884E-03 -4.926258E-07 7.860009E-11 -4.607498E-15 -9.239375E+02 5.871822E+00 ); - lowCpCoeffs ( 3.530963E+00 -1.236595E-04 -5.029934E-07 2.435277E-09 -1.408795E-12 -1.046964E+03 2.967439E+00 ); - } - transport - { - As 1.67212e-06; - Ts 170.672; - } -} - -// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/constant/foam.inp b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/constant/foam.inp deleted file mode 100644 index 197268aa..00000000 --- a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/constant/foam.inp +++ /dev/null @@ -1,14 +0,0 @@ -species -( - CO - CO2 - H2 - H2O - N2 -); - -reactions -{ -} - - diff --git a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/constant/g b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/constant/g deleted file mode 100644 index abca4e14..00000000 --- a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/constant/g +++ /dev/null @@ -1,22 +0,0 @@ -/*--------------------------------*- C++ -*----------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 2.3.0 | -| \\ / A nd | Web: www.OpenFOAM.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ -FoamFile -{ - version 2.0; - format ascii; - class uniformDimensionedVectorField; - location "constant"; - object g; -} -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -dimensions [0 1 -2 0 0 0 0]; -value ( 0 -9.81 0 ); - - -// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/constant/liggghtsCommands b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/constant/liggghtsCommands deleted file mode 100644 index ea16dec7..00000000 --- a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/constant/liggghtsCommands +++ /dev/null @@ -1,43 +0,0 @@ -/*---------------------------------------------------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.4 | -| \\ / A nd | Web: http://www.openfoam.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ - - -FoamFile -{ - version 2.0; - format ascii; - - root ""; - case ""; - instance ""; - local ""; - - class dictionary; - object liggghtsCommands; -} - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -liggghtsCommandModels -( - runLiggghts - writeLiggghts -); -// ************************************************************************* // - -/*runLiggghtsProps -{ - preNo false; -}*/ - -writeLiggghtsProps -{ - writeLast on; - writeName "post/restart/liggghts.restartCFDEM"; - overwrite on; -} diff --git a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/constant/polyMesh/blockMeshDict b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/constant/polyMesh/blockMeshDict deleted file mode 100644 index 7edce08b..00000000 --- a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/constant/polyMesh/blockMeshDict +++ /dev/null @@ -1,77 +0,0 @@ -/*--------------------------------*- C++ -*----------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 2.3.0 | -| \\ / A nd | Web: www.OpenFOAM.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ -FoamFile -{ - version 2.0; - format ascii; - class dictionary; - location "constant/polyMesh"; - object blockMeshDict; -} -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -convertToMeters 1.0; - -vertices -( - (0 0 0) - (0.06 0 0) - (0.06 0.15 0) - (0 0.15 0) - (0 0 0.06) - (0.06 0 0.06) - (0.06 0.15 0.06) - (0 0.15 0.06) -); - -blocks -( - hex (0 1 2 3 4 5 6 7)(25 63 25) simpleGrading (1 1 1) - -); - -edges -( -); - -boundary -( - outlet - { - type patch; - faces - ( - (3 7 6 2) - ); - } - inlet - { - type patch; - faces - ( - (1 5 4 0) - ); - } - side-walls - { - type wall; - faces - ( - (0 3 2 1) - (4 5 6 7) - (0 4 7 3) - (2 6 5 1) - ); - } -); - -mergePatchPairs -( -); - -// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/constant/thermophysicalProperties b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/constant/thermophysicalProperties deleted file mode 100644 index 21b451e2..00000000 --- a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/constant/thermophysicalProperties +++ /dev/null @@ -1,67 +0,0 @@ -/*--------------------------------*- C++ -*----------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 2.3.0 | -| \\ / A nd | Web: www.OpenFOAM.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ -FoamFile -{ - version 2.0; - format ascii; - class dictionary; - location "constant"; - object thermophysicalProperties; -} -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -thermoType -{ - type heRhoThermo; //hePsiThermo; // - mixture reactingMixture; //species and reactions are listed in chemistry file - transport sutherland; //calcualtes viscosity as a function of temperature from Stuherland coefficient As and Ts - thermo janaf; - equationOfState perfectGas; - energy sensibleEnthalpy; //uses enthaly in the solution - specie specie; -} - -chemistryReader foamChemistryReader; - -foamChemistryThermoFile "$FOAM_CASE/constant/foam.dat"; - -foamChemistryFile "$FOAM_CASE/constant/foam.inp"; - -inertSpecie N2; - -/*liquids -{ - H2O - { - defaultCoeffs yes; - } -} - -solids -{ - C - { - defaultCoeffs no; - // if defaultCoeffs no properties should be : - CCoeffs - { - rho 2010; - Cp 710; - K 0.04; - Hf 0; - emissivity 1.0; - } - } - ash - { - defaultCoeffs yes; - } -} - - -// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/constant/transportProperties b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/constant/transportProperties deleted file mode 100644 index 4a909f79..00000000 --- a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/constant/transportProperties +++ /dev/null @@ -1,44 +0,0 @@ -/*--------------------------------*- C++ -*----------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 1.6 | -| \\ / A nd | Web: www.OpenFOAM.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ -FoamFile -{ - version 2.0; - format ascii; - class dictionary; - location "constant"; - object transportProperties; -} -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -transportModel Newtonian; - -nu nu [ 0 2 -1 0 0 0 0 ] 1.126e-05; // - -kf kf [ 1 1 -3 -1 0 0 0 ] 0.0507; // comes from energy model - -Cp Cp [ 0 2 -2 -1 0 0 0 ] 3050; // comes from energy model - - -// ******* Non-Newtonian transport properties ************************ // -/*CrossPowerLawCoeffs -{ - nu0 nu0 [ 0 2 -1 0 0 0 0 ] 1e-06; - nuInf nuInf [ 0 2 -1 0 0 0 0 ] 1e-06; - m m [ 0 0 1 0 0 0 0 ] 1; - n n [ 0 0 0 0 0 0 0 ] 1; -} - -BirdCarreauCoeffs -{ - nu0 nu0 [ 0 2 -1 0 0 0 0 ] 1e-06; - nuInf nuInf [ 0 2 -1 0 0 0 0 ] 1e-06; - k k [ 0 0 1 0 0 0 0 ] 0; - n n [ 0 0 0 0 0 0 0 ] 1; -} -*/ -// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/constant/turbulenceProperties b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/constant/turbulenceProperties deleted file mode 100644 index d1156961..00000000 --- a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/constant/turbulenceProperties +++ /dev/null @@ -1,20 +0,0 @@ -/*--------------------------------*- C++ -*----------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 2.3.0 | -| \\ / A nd | Web: www.OpenFOAM.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ -FoamFile -{ - version 2.0; - format ascii; - class dictionary; - location "constant"; - object turbulenceProperties; -} -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -simulationType laminar; - -// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/fractionalReduction.plt b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/fractionalReduction.plt deleted file mode 100644 index 5cc39fd3..00000000 --- a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/fractionalReduction.plt +++ /dev/null @@ -1,15 +0,0 @@ -set terminal qt 0 -set title "Fractional Reduction No CG" -set xtic auto -set ytic auto -set xlabel "Time, (s)" -set ylabel "Reduction Rate, (%)" -set grid xtics ytics -set autoscale -plot "Output.dat" using 1:($2/28545)*100 title 'fw' with lines lc rgb '#0060ad' lt 2.5 lw 2.5, \ - "Output.dat" using 1:($3/28545)*100 title 'fm' with lines lc rgb '#dd181f' lt 2.5 lw 2.5, \ - "Output.dat" using 1:($4/28545)*100 title 'fh' with lines lt 2.5 lw 2.5,\ - "Output.dat" using 1:(($4/28545)*1/9+($3/28545)*2/9+($2/28545)*6/9)*100 title 'ftot' with lines lc "black" lt 2.5 lw 2.5 - -pause 1 -reread diff --git a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/system/controlDict b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/system/controlDict deleted file mode 100644 index 1efc026b..00000000 --- a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/system/controlDict +++ /dev/null @@ -1,201 +0,0 @@ -/*--------------------------------*- C++ -*----------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 2.3.0 | -| \\ / A nd | Web: www.OpenFOAM.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ -FoamFile -{ - version 2.0; - format ascii; - class dictionary; - location "system"; - object controlDict; -} -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -application cfdemSolverRhoPimpleChem; - -startFrom startTime; - -startTime 0.0; - -stopAt endTime; - -endTime 70; - -deltaT 0.0005; - -writeControl timeStep; - -writeInterval 5000; - -purgeWrite 0; - -writeFormat ascii; - -writePrecision 6; - -writeCompression off; - -timeFormat general; - -timePrecision 6; - -runTimeModifiable false; - -adjustTimeStep no; - -maxCo 0.5; - -maxDeltaT 0.1; - - -// ************************************************************************* // -libs -( - "libfieldFunctionObjects.so" -); - -functions -{ - moleFrac - { - type rhoReactionThermoMoleFractions; - } - - residuals - { - type residuals; - functionObjectLibs ("libutilityFunctionObjects.so"); - enabled true; - writeControl timeStep; - writeInterval 1; - - fields - ( - p - U - ); - } - - gasResidual - { - type residuals; - functionObjectLibs ("libutilityFunctionObjects.so"); - enabled true; - writeControl timeStep; - writeInterval 1; - - fields - ( - CO - CO2 - H2 - H2O - N2 - ); - } - - probes1 - { - type probes; - - functionObjectLibs ("libsampling.so"); - - name probes1; - - fields - ( - rho - p - T - molC - N2 - CO2 - CO - H2 - H2O - ModSpeciesMassField_N2 - ModSpeciesMassField_CO2 - ModSpeciesMassField_CO - ModSpeciesMassField_H2 - ModSpeciesMassField_H2O - X_CO - X_CO2 - X_H2 - X_H2O - X_N2 - ); - - writeControl timeStep; - writeInterval 10000; - - // Locations to be probed - probeLocations - ( - (0.03 0.025 0.03) - (0.03 0.05 0.03) - (0.03 0.075 0.03) - (0.03 0.09 0.03) - (0.03 0.12 0.03) - ); - - } - - - fieldMinMax1 - { - type fieldMinMax; - libs ("libfieldFunctionObjects.so"); - fields (U); - // Report the location of the field extrema - location yes; - // Type of extrema for rank > 0 primitives - mode magnitude; // magnitude | component - } - - - globalMassFrac - { - type volRegion; - libs ("libfieldFunctionObjects.so"); - writeControl timeStep;//outputTime; - writeInterval 1; - log true; - writeFields false; - regionType all; - name c0; - operation weightedVolAverage; - weightField rhoeps; - fields - ( - H2 - H2O - CO2 - CO - N2 - ); - } - - globalMass - { - type volRegion; - libs ("libfieldFunctionObjects.so"); - writeControl timeStep;//outputTime; - writeInterval 1; - log true; - writeFields false; - regionType all; - name c1; - operation volIntegrate; - fields - ( - rhoeps - rho - ); - } -} - -// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/system/controlDict_test b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/system/controlDict_test deleted file mode 100644 index 539edce6..00000000 --- a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/system/controlDict_test +++ /dev/null @@ -1,201 +0,0 @@ -/*--------------------------------*- C++ -*----------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 2.3.0 | -| \\ / A nd | Web: www.OpenFOAM.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ -FoamFile -{ - version 2.0; - format ascii; - class dictionary; - location "system"; - object controlDict; -} -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -application cfdemSolverRhoPimpleChem; - -startFrom startTime; - -startTime 0.0; - -stopAt endTime; - -endTime 0.5; - -deltaT 0.0005; - -writeControl timeStep; - -writeInterval 500; - -purgeWrite 0; - -writeFormat ascii; - -writePrecision 6; - -writeCompression off; - -timeFormat general; - -timePrecision 6; - -runTimeModifiable false; - -adjustTimeStep no; - -maxCo 0.5; - -maxDeltaT 0.1; - - -// ************************************************************************* // -libs -( - "libfieldFunctionObjects.so" -); - -functions -{ - moleFrac - { - type rhoReactionThermoMoleFractions; - } - - residuals - { - type residuals; - functionObjectLibs ("libutilityFunctionObjects.so"); - enabled true; - writeControl timeStep; - writeInterval 1; - - fields - ( - p - U - ); - } - - gasResidual - { - type residuals; - functionObjectLibs ("libutilityFunctionObjects.so"); - enabled true; - writeControl timeStep; - writeInterval 1; - - fields - ( - CO - CO2 - H2 - H2O - N2 - ); - } - - probes1 - { - type probes; - - functionObjectLibs ("libsampling.so"); - - name probes1; - - fields - ( - rho - p - T - molC - N2 - CO2 - CO - H2 - H2O - ModSpeciesMassField_N2 - ModSpeciesMassField_CO2 - ModSpeciesMassField_CO - ModSpeciesMassField_H2 - ModSpeciesMassField_H2O - X_CO - X_CO2 - X_H2 - X_H2O - X_N2 - ); - - writeControl timeStep; - writeInterval 10000; - - // Locations to be probed - probeLocations - ( - (0.03 0.025 0.03) - (0.03 0.05 0.03) - (0.03 0.075 0.03) - (0.03 0.09 0.03) - (0.03 0.12 0.03) - ); - - } - - - fieldMinMax1 - { - type fieldMinMax; - libs ("libfieldFunctionObjects.so"); - fields (U); - // Report the location of the field extrema - location yes; - // Type of extrema for rank > 0 primitives - mode magnitude; // magnitude | component - } - - - globalMassFrac - { - type volRegion; - libs ("libfieldFunctionObjects.so"); - writeControl timeStep; - writeInterval 1; - log true; - writeFields false; - regionType all; - name c0; - operation weightedVolAverage; - weightField rhoeps; - fields - ( - H2 - H2O - CO2 - CO - N2 - ); - } - - globalMass - { - type volRegion; - libs ("libfieldFunctionObjects.so"); - writeControl timeStep; - writeInterval 1; - log true; - writeFields false; - regionType all; - name c1; - operation volIntegrate; - fields - ( - rhoeps - rho - ); - } -} - -// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/system/decomposeParDict b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/system/decomposeParDict deleted file mode 100644 index deac5375..00000000 --- a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/system/decomposeParDict +++ /dev/null @@ -1,46 +0,0 @@ -/*--------------------------------*- C++ -*----------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 2.3.0 | -| \\ / A nd | Web: www.OpenFOAM.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ -FoamFile -{ - version 2.0; - format ascii; - class dictionary; - location "system"; - object decomposeParDict; -} -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -numberOfSubdomains 8; - -//method scotch; -method simple; - -simpleCoeffs -{ - n (4 1 2); - delta 0.001; -} - -hierarchicalCoeffs -{ - n ( 1 1 1 ); - delta 0.001; - order xyz; -} - -manualCoeffs -{ - dataFile ""; -} - -distributed no; - -roots ( ); - - -// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/system/decomposeParDict_test b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/system/decomposeParDict_test deleted file mode 100644 index 51a49e57..00000000 --- a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/system/decomposeParDict_test +++ /dev/null @@ -1,45 +0,0 @@ -/*--------------------------------*- C++ -*----------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 2.3.0 | -| \\ / A nd | Web: www.OpenFOAM.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ -FoamFile -{ - version 2.0; - format ascii; - class dictionary; - location "system"; - object decomposeParDict; -} -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -numberOfSubdomains 4; - -method simple; - -simpleCoeffs -{ - n (2 1 2); - delta 0.001; -} - -hierarchicalCoeffs -{ - n ( 1 1 1 ); - delta 0.001; - order xyz; -} - -manualCoeffs -{ - dataFile ""; -} - -distributed no; - -roots ( ); - - -// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/system/fvOptions b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/system/fvOptions deleted file mode 100644 index d29ae97f..00000000 --- a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/system/fvOptions +++ /dev/null @@ -1,78 +0,0 @@ -/*--------------------------------*- C++ -*----------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 2.3.0 | -| \\ / A nd | Web: www.OpenFOAM.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ -FoamFile -{ - version 2.0; - format ascii; - class dictionary; - location "system"; - object fvOptions; -} -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // -limitedTemperature -{ - type limitTemperature; - active yes; - limitTemperatureCoeffs - { - active yes; - selectionMode all; - Tmin 1020; - Tmax 2000; - } -} - -/*fixedTemperature -{ - type fixedTemperatureConstraint; - active yes; - selectionMode all; - - fixedTemperatureConstraintCoeffs - { - active yes; - selectionMode all; - mode uniform; - temperature 753; //993.15; - } -}*/ - -/*fixedVelocity -{ - type vectorFixedValueConstraint; - active yes; - - vectorFixedValueConstraintCoeffs - { - selectionMode all; - fieldValues - { - U (0.0 0.25 0.0); - } - } -} */ - -/*fixedSpecies -{ - type vectorFixedValueConstraint; - active true; - - vectorFixedValueConstraintCoeffs - { - selectionMode all; - fieldValues - { - CO (0. 0.3923 0.); - CO2 (0. 0.2332 0.); - H2 (0. 0.0101 0.); - H2O (0. 0.0230 0.); - N2 (0. 0.3414 0.); - } - } -}*/ - diff --git a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/system/fvSchemes b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/system/fvSchemes deleted file mode 100644 index 45a529d2..00000000 --- a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/system/fvSchemes +++ /dev/null @@ -1,80 +0,0 @@ -/*--------------------------------*- C++ -*----------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 2.3.0 | -| \\ / A nd | Web: www.OpenFOAM.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ -FoamFile -{ - version 2.0; - format ascii; - class dictionary; - location "system"; - object fvSchemes; -} -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - -ddtSchemes -{ - default Euler; -} - -gradSchemes -{ - default Gauss linear; - grad(p) cellMDLimited leastSquares 0.5; - grad(U) cellMDLimited leastSquares 0.5; //cellLimited Gauss linear 1; // - grad(h) cellMDLimited leastSquares 0.5; -} - -divSchemes -{ - default Gauss linear; - - div(phi,U) Gauss limitedLinear 1; //Gauss linear; //Gauss limitedLinear 1; // //Gauss limitedLinearV 1; // - div(phid,p) Gauss limitedLinear 1; //Gauss upwind; //Gauss limitedLinearV 1; - div(phi,K) Gauss linear; - div(phi,h) Gauss limitedLinear 1; //Gauss upwind; - div(phi,k) Gauss limitedLinear 1; //Gauss upwind; - div(phi,epsilon) Gauss limitedLinear 1; //Gauss upwind; - div(U) Gauss limitedLinear 1; - div(phi,Yi_h) Gauss multivariateSelection - { - CO limitedLinear01 1; - H2 limitedLinear01 1; - N2 limitedLinear01 1; - H2O limitedLinear01 1; - CO2 limitedLinear01 1; - h limitedLinear 1; - } - // div((muEff*dev2(T(grad(U))))) Gauss linear; - div((viscousTerm*dev2(grad(U).T()))) Gauss linear; - div((thermo:mu*dev(grad(U).T()))) Gauss linear; - div((nuEff*dev2(T(grad(U))))) Gauss linear; -} - -laplacianSchemes -{ - default Gauss linear corrected; //Gauss linear orthogonal; -} - -interpolationSchemes -{ - default linear; - interpolate(U) linear; -} - -snGradSchemes -{ - default corrected; //orthogonal; -} - -fluxRequired -{ - default no; - p ; -} - - -// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/system/fvSolution b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/system/fvSolution deleted file mode 100644 index 91510656..00000000 --- a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/system/fvSolution +++ /dev/null @@ -1,127 +0,0 @@ -/*--------------------------------*- C++ -*----------------------------------*\ -| ========= | | -| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \\ / O peration | Version: 2.3.0 | -| \\ / A nd | Web: www.OpenFOAM.org | -| \\/ M anipulation | | -\*---------------------------------------------------------------------------*/ -FoamFile -{ - version 2.0; - format ascii; - class dictionary; - location "system"; - object fvSolution; -} -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // -solvers -{ - p - { - /*solver PCG; - preconditioner DIC; - tolerance 1e-6; - relTol 0.01;*/ - solver GAMG; - tolerance 1e-06; - relTol 0.01; - smoother GaussSeidel; - nPreSweeps 0; - nPostSweeps 2; - nFinestSweeps 2; - cacheAgglomeration on; - nCellsInCoarsestLevel 10; - agglomerator faceAreaPair; - mergeLevels 1; - } - - pFinal - { - $p; - tolerance 1e-06; - relTol 0; - } - - "(rho|G)" - { - solver PCG; - preconditioner DIC; - tolerance 1e-6; - relTol 0.01; - /*solver smoothSolver; - smoother symGaussSeidel; - tolerance 1e-6; - relTol 0.1; - nSweeps 3;*/ - } - - "(rho|G)Final" - { - $rho; - tolerance 1e-06; - relTol 0; - } - - "(U|h|R|k|epsilon)" - { - solver smoothSolver; - smoother symGaussSeidel; - tolerance 1e-05; - relTol 0.1; - } - - "(U|h|R|k|epsilon)Final" - { - $U; - tolerance 1e-05; - relTol 0; - } - - "(Yi|CO|CO2|H2|H2O|N2)" - { - solver smoothSolver; - smoother symGaussSeidel; - tolerance 1e-06; - relTol 0.01; - maxIter 1; - } - - "(Yi|CO|CO2|H2|H2O|N2)Final" - { - $Yi; - tolerance 1e-06; - relTol 0; - maxIter 1; - } - - T - { - solver PBiCG; - preconditioner DILU; - tolerance 1e-8; - relTol 0; - } -} - -PIMPLE -{ - momentumPredictor yes; - nOuterCorrectors 3; - nCorrectors 1; - nNonOrthogonalCorrectors 0; - rhoMin rhoMin [ 1 -3 0 0 0 ] 0.5; - rhoMax rhoMax [ 1 -3 0 0 0 ] 2.5; -} - -relaxationFactors -{ - fields - { - } - equations - { - ".*" 0.9; - } -} - -// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/system/probesDict b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/system/probesDict deleted file mode 100644 index c114db35..00000000 --- a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/CFD/system/probesDict +++ /dev/null @@ -1,57 +0,0 @@ -/*--------------------------------*- C++ -*----------------------------------*\ -| ========= | | -| \ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \ / O peration | Version: 2.1.x | -| \ / A nd | Web: www.OpenFOAM.org | -| \/ M anipulation | | -\*---------------------------------------------------------------------------*/ -FoamFile -{ - version 2.0; - format ascii; - class dictionary; - object probesDict; -} -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - - - -fields -( - rho - p - T - molC - N2 - CO2 - CO - H2 - H2O - ModSpeciesMassField_N2 - ModSpeciesMassField_CO2 - ModSpeciesMassField_CO - ModSpeciesMassField_H2 - ModSpeciesMassField_H2O - X_CO - X_CO2 - X_H2 - X_H2O - X_N2 -); - -writeControl timeStep; -writeInterval 10000; - - -// Locations to be probed. -probeLocations -( - (0.03 0.025 0.03) - (0.03 0.05 0.03) - (0.03 0.075 0.03) - (0.03 0.09 0.03) - (0.03 0.12 0.03) -); - -// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // - diff --git a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/DEM/in.liggghts_init b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/DEM/in.liggghts_init deleted file mode 100644 index 0c617054..00000000 --- a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/DEM/in.liggghts_init +++ /dev/null @@ -1,65 +0,0 @@ -# Particle insertion into domain -coarsegraining 6.0 model_check error -atom_style granular -atom_modify map array -echo both - -communicate single vel yes - -boundary f f f -newton off - -units si -processors * 1 2 - -region reg block 0.0 0.06 0.0 0.15 0.0 0.06 units box -create_box 1 reg - -neighbor 0.0005 bin -neigh_modify delay 0 - -# Material properties required for granular pair styles -fix m1 all property/global youngsModulus peratomtype 5.e6 -fix m2 all property/global poissonsRatio peratomtype 0.45 -fix m3 all property/global coefficientRestitution peratomtypepair 1 0.3 -fix m4 all property/global coefficientFriction peratomtypepair 1 0.5 - -# pair style -pair_style gran model hertz tangential history -pair_coeff * * - -# timestep, gravity -timestep 1e-6 -fix gravi all gravity 9.81 vector 0.0 -1.0 0.0 - -# walls -fix xwalls1 all wall/gran model hertz tangential history primitive type 1 xplane 0.0 -fix xwalls2 all wall/gran model hertz tangential history primitive type 1 xplane 0.06 -fix ywalls1 all wall/gran model hertz tangential history primitive type 1 yplane 0.0 -fix ywalls2 all wall/gran model hertz tangential history primitive type 1 yplane 0.15 -fix zwalls1 all wall/gran model hertz tangential history primitive type 1 zplane 0.0 -fix zwalls2 all wall/gran model hertz tangential history primitive type 1 zplane 0.06 - -# particle distributions and insertion -region bc block 0.0 0.06 0.0 0.08 0.0 0.06 units box -fix pts1 all particletemplate/sphere 1 atom_type 1 density constant 4630 radius constant 0.00011 -fix pdd1 all particledistribution/discrete 1 1 pts1 1.0 - -fix ins all insert/pack seed 100001 distributiontemplate pdd1 vel constant 0. -1. 0. insert_every once overlapcheck yes all_in yes particles_in_region 28545 region bc - -# apply nve integration to all particles that are inserted as single particles -fix integr all nve/sphere - -# screen output -compute rke all erotate/sphere -thermo_style custom step atoms ke c_rke vol -thermo 1000 -thermo_modify lost ignore norm no -compute_modify thermo_temp dynamic yes - -# insert the first particles so that dump is not empty -run 1 -dump dmp all custom 1000 post/dump.liggghts_init id type x y z vx vy vz fx fy fz omegax omegay omegaz radius - -run 150000 upto -write_restart ../DEM/post/restart/liggghts.restart diff --git a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/DEM/in.liggghts_run b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/DEM/in.liggghts_run deleted file mode 100644 index 9b38db60..00000000 --- a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/DEM/in.liggghts_run +++ /dev/null @@ -1,305 +0,0 @@ -# particle chemistry test case -log ../DEM/log.liggghts -thermo_log ../DEM/post/thermo.txt - -coarsegraining 6.0 model_check error - -atom_style granular -atom_modify map array -communicate single vel yes - -boundary f f f -newton off - -units si -processors * 1 2 - -# read the restart file -read_restart ../DEM/post/restart/liggghts.restart - -#region remo block 0.0 0.005 0.0 0.010 0.0275 0.0325 units box -#delete_atoms region remo compress no - -neighbor 0.0005 bin -neigh_modify delay 0 - -# Material properties required for granular pair styles - -fix m1 all property/global youngsModulus peratomtype 5.e6 -fix m2 all property/global poissonsRatio peratomtype 0.45 -fix m3 all property/global coefficientRestitution peratomtypepair 1 0.3 -fix m4 all property/global coefficientFriction peratomtypepair 1 0.5 - -# pair style -pair_style gran model hertz tangential history # Hertzian without cohesion -pair_coeff * * - -# timestep, gravity -timestep 1e-5 -fix gravi all gravity 9.81 vector 0.0 -1.0 0.0 - -# walls -fix xwalls1 all wall/gran model hertz tangential history primitive type 1 xplane 0.0 -fix xwalls2 all wall/gran model hertz tangential history primitive type 1 xplane 0.06 -fix ywalls1 all wall/gran model hertz tangential history primitive type 1 yplane 0.0 -fix ywalls2 all wall/gran model hertz tangential history primitive type 1 yplane 0.15 -fix zwalls1 all wall/gran model hertz tangential history primitive type 1 zplane 0.0 -fix zwalls2 all wall/gran model hertz tangential history primitive type 1 zplane 0.06 - -#Thermal properties -# fix ftco all property/global thermalConductivity peratomtype 1.4 -# fix ftca all property/global thermalCapacity peratomtype 800 - -############################################### -fix ts_check all check/timestep/gran 10 0.1 0.1 - -### cfd coupling -fix cfd all couple/cfd couple_every 50 mpi -fix cfd2 all couple/cfd/force/implicit - -# apply nve integration to all particles that are inserted as single particles -fix integr all nve/sphere - -# this one invokes heat transfer calculation, transfers per-particle temperature and adds convective heat flux to particles -# fix tconv all couple/cfd/convection T0 300 - -#### stuff for chemistry #### -#### this should invoke chemistry -fix cfd3 all couple/cfd/chemistry n_species 5 species_names CO CO2 H2 H2O N2 n_diff 2 diffusant_names CO H2 - -### Activate for 3-layer unreacted core shrink model -fix cfd5 all chem/shrink/core speciesA CO molMassA 0.02801 speciesC CO2 molMassC 0.04401 screen no nevery 1 -fix cfd6 all chem/shrink/core speciesA H2 molMassA 0.00202 speciesC H2O molMassC 0.01801 screen no nevery 1 - -### Chemical properties for unreacted shrink core (activate only when chem/shrink/core is active) -fix k0_CO all property/global k0_cfd5 vector 17 25 2700 -fix Ea_CO all property/global Ea_cfd5 vector 69488 73674 113859 - -fix k0_H2 all property/global k0_cfd6 vector 30 23 160 -fix Ea_H2 all property/global Ea_cfd6 vector 63627 71162 92092 - -### particle porosity/tortuosity/pore diameter #(porosities has to change) -fix porosity all property/atom porosity_ vector yes no no 0.624 0.2636 0.102 0.084 -fix tortuosity all property/global tortuosity_ scalar 3 -fix pore_diameter all property/global pore_diameter_ scalar 1e-6 - -### Material properties for unreacted chemical shrink core (activate only when chem/shrink/core is active) -fix density all property/global density_all vector 7870 5740 5170 5240 -fix molMass all property/global molMass_all vector 0.055845 0.071844 0.231532 0.1596882 - -### define layer radius -fix LayerRelRadii all property/atom relRadii vector yes no no 1.0 0.9999 0.998 0.001 - -### define fix for mass layer - initial testing -fix LayerMasses all property/atom massLayer vector yes no no 0. 0. 0. 0. - -## define fix for rho_eff and fracRed - initialize as zero -fix fracRed all property/atom fracRed_all vector yes no no 0. 0. 0. -fix rhoeff all property/atom rhoeff vector yes no no 0. 0. 0. 0. -fix dY_cfd5 all property/atom dY_cfd5 vector yes yes no 0. 0. 0. -fix dY_cfd6 all property/atom dY_cfd6 vector yes yes no 0. 0. 0. -#fix dmA_cfd5 all property/atom dmA_cfd5 vector yes yes no 0. 0. 0. -#fix dmA_cfd6 all property/atom dmA_cfd6 vector yes yes no 0. 0. 0. - -############################################### - -variable WI equal 25000 -variable time equal step*dt -variable m1 equal mass[1] -variable rp equal radius[1] -variable rho1 equal mass[1]/((4/3)*PI*radius[1]*radius[1]*radius[1]) -fix printmass all print ${WI} "${time} ${m1} ${rho1} ${rp}" file mass_rho_rad.txt title "#time mass rho rad_par" - -############################################### -####### check nufield and Rep if it changes due to processor switch -compute nu1 all reduce sum f_partNu -fix NuField all ave/time 1 1 1 c_nu1 -variable nu_f equal f_NuField - -compute ReF all reduce sum f_partRe -fix ReField all ave/time 1 1 1 c_ReF -variable Re equal f_ReField - -compute COdiff all reduce sum f_CO_diffCoeff -fix diffField_CO all ave/time 1 1 1 c_COdiff -variable CO_diffCo equal f_diffField_CO - -compute H2diff all reduce sum f_H2_diffCoeff -fix diffField_H2 all ave/time 1 1 1 c_H2diff -variable H2_diffCo equal f_diffField_H2 - -fix printErrorCheck all print 10000 "${time} ${nu_f} ${Re} ${CO_diffCo} ${H2_diffCo}" file ErrorCheck.dat title "#time nu_f Re CO_diffCoeff H2_diffCoeff" - -############################################### -## Check Layer Radii and Write them to files ### -compute layerRad1 all reduce sum f_LayerRelRadii[1] -fix redRad1 all ave/time 1 1 1 c_layerRad1 -variable rr1 equal f_redRad1 - -compute layerRad2 all reduce sum f_LayerRelRadii[2] -fix redRad2 all ave/time 1 1 1 c_layerRad2 -variable rr2 equal f_redRad2 - -compute layerRad3 all reduce sum f_LayerRelRadii[3] -fix redRad3 all ave/time 1 1 1 c_layerRad3 -variable rr3 equal f_redRad3 - -compute layerRad4 all reduce sum f_LayerRelRadii[4] -fix redRad4 all ave/time 1 1 1 c_layerRad4 -variable rr4 equal f_redRad4 - -fix printRelRadii all print ${WI} "${time} ${rr1} ${rr2} ${rr3} ${rr4}" file relRadii.dat title "#time relRad_1 relRad_2 relRad_3 relRad_4" - -############################################### -#### Give information about resistance terms and molar fractions to specified files ### -compute Aterm_red_CO all reduce sum f_Aterm_cfd5[1] f_Aterm_cfd5[2] f_Aterm_cfd5[3] -fix Aterm1 all ave/time 10 1 10 c_Aterm_red_CO[1] c_Aterm_red_CO[2] c_Aterm_red_CO[3] -variable a_CO_1 equal f_Aterm1[1] -variable a_CO_2 equal f_Aterm1[2] -variable a_CO_3 equal f_Aterm1[3] - -compute Aterm_red_H2 all reduce sum f_Aterm_cfd6[1] f_Aterm_cfd6[2] f_Aterm_cfd6[3] -fix Aterm2 all ave/time 10 1 10 c_Aterm_red_H2[1] c_Aterm_red_H2[2] c_Aterm_red_H2[3] -variable a_H2_1 equal f_Aterm2[1] -variable a_H2_2 equal f_Aterm2[2] -variable a_H2_3 equal f_Aterm2[3] - -compute Bterm_red_CO all reduce sum f_Bterm_cfd5[1] f_Bterm_cfd5[2] f_Bterm_cfd5[3] -fix Bterm1 all ave/time 10 1 10 c_Bterm_red_CO[1] c_Bterm_red_CO[2] c_Bterm_red_CO[3] -variable b_CO_1 equal f_Bterm1[1] -variable b_CO_2 equal f_Bterm1[2] -variable b_CO_3 equal f_Bterm1[3] - -compute Bterm_red_H2 all reduce sum f_Bterm_cfd6[1] f_Bterm_cfd6[2] f_Bterm_cfd6[3] -fix Bterm2 all ave/time 10 1 10 c_Bterm_red_H2[1] c_Bterm_red_H2[2] c_Bterm_red_H2[3] -variable b_H2_1 equal f_Bterm2[1] -variable b_H2_2 equal f_Bterm2[2] -variable b_H2_3 equal f_Bterm2[3] - -compute Massterm_red_CO all reduce sum f_Massterm_cfd5 -fix Massterm1 all ave/time 10 1 10 c_Massterm_red_CO -variable mt_CO equal f_Massterm1 - -compute Massterm_red_H2 all reduce sum f_Massterm_cfd6 -fix Massterm2 all ave/time 10 1 10 c_Massterm_red_H2 -variable mt_H2 equal f_Massterm2 - -compute fracRedTerm all reduce sum f_fracRed[1] f_fracRed[2] f_fracRed[3] -fix fracRed1 all ave/time 10 1 10 c_fracRedTerm[1] c_fracRedTerm[2] c_fracRedTerm[3] -variable fr_1 equal f_fracRed1[1] -variable fr_2 equal f_fracRed1[2] -variable fr_3 equal f_fracRed1[3] - -compute effDiffBinary_red_CO all reduce sum f_effDiffBinary_cfd5[1] f_effDiffBinary_cfd5[2] f_effDiffBinary_cfd5[3] -fix effDiffBinary1 all ave/time 10 1 10 c_effDiffBinary_red_CO[1] c_effDiffBinary_red_CO[2] c_effDiffBinary_red_CO[3] -variable dij_CO_1 equal f_effDiffBinary1[1] -variable dij_CO_2 equal f_effDiffBinary1[2] -variable dij_CO_3 equal f_effDiffBinary1[3] - -compute effDiffBinary_red_H2 all reduce sum f_effDiffBinary_cfd6[1] f_effDiffBinary_cfd6[2] f_effDiffBinary_cfd6[3] -fix effDiffBinary2 all ave/time 10 1 10 c_effDiffBinary_red_H2[1] c_effDiffBinary_red_H2[2] c_effDiffBinary_red_H2[3] -variable dij_H2_1 equal f_effDiffBinary2[1] -variable dij_H2_2 equal f_effDiffBinary2[2] -variable dij_H2_3 equal f_effDiffBinary2[3] - -compute effDiffKnud_red_CO all reduce sum f_effDiffKnud_cfd5[1] f_effDiffKnud_cfd5[2] f_effDiffKnud_cfd5[3] -fix effDiffKnud1 all ave/time 10 1 10 c_effDiffKnud_red_CO[1] c_effDiffKnud_red_CO[2] c_effDiffKnud_red_CO[3] -variable dik_CO_1 equal f_effDiffKnud1[1] -variable dik_CO_2 equal f_effDiffKnud1[2] -variable dik_CO_3 equal f_effDiffKnud1[3] - -compute effDiffKnud_red_H2 all reduce sum f_effDiffKnud_cfd6[1] f_effDiffKnud_cfd6[2] f_effDiffKnud_cfd6[3] -fix effDiffKnud2 all ave/time 10 1 10 c_effDiffKnud_red_H2[1] c_effDiffKnud_red_H2[2] c_effDiffKnud_red_H2[3] -variable dik_H2_1 equal f_effDiffKnud2[1] -variable dik_H2_2 equal f_effDiffKnud2[2] -variable dik_H2_3 equal f_effDiffKnud2[3] - -compute porosity_red all reduce sum f_porosity[1] f_porosity[2] f_porosity[3] f_porosity[4] -fix porosity1 all ave/time 10 1 10 c_porosity_red[1] c_porosity_red[2] c_porosity_red[3] c_porosity_red[4] -variable p1 equal f_porosity1[1] -variable p2 equal f_porosity1[2] -variable p3 equal f_porosity1[3] -variable p4 equal f_porosity1[4] - -compute mass_layer all reduce sum f_LayerMasses[1] f_LayerMasses[2] f_LayerMasses[3] f_LayerMasses[4] -fix massLayerPrintout all ave/time 1 1 1 c_mass_layer[1] c_mass_layer[2] c_mass_layer[3] c_mass_layer[4] -variable mL1 equal f_massLayerPrintout[1] -variable mL2 equal f_massLayerPrintout[2] -variable mL3 equal f_massLayerPrintout[3] -variable mL4 equal f_massLayerPrintout[4] - -compute dY_CO all reduce sum f_dY_cfd5[1] f_dY_cfd5[2] f_dY_cfd5[3] -fix dY_CO_Output all ave/time 1 1 1 c_dY_CO[1] c_dY_CO[2] c_dY_CO[3] -variable dY_CO_1 equal f_dY_CO_Output[1] -variable dY_CO_2 equal f_dY_CO_Output[2] -variable dY_CO_3 equal f_dY_CO_Output[3] - -compute dY_H2 all reduce sum f_dY_cfd6[1] f_dY_cfd6[2] f_dY_cfd6[3] -fix dY_H2_Output all ave/time 1 1 1 c_dY_H2[1] c_dY_H2[2] c_dY_H2[3] -variable dY_H2_1 equal f_dY_H2_Output[1] -variable dY_H2_2 equal f_dY_H2_Output[2] -variable dY_H2_3 equal f_dY_H2_Output[3] - -compute xA_CO all reduce sum f_X_CO -fix molarFractionA_CO all ave/time 1 1 1 c_xA_CO -variable xA_CO_1 equal f_molarFractionA_CO - -compute xA_H2 all reduce sum f_X_H2 -fix molarFractionA_H2 all ave/time 1 1 1 c_xA_H2 -variable xA_H2_1 equal f_molarFractionA_H2 - -compute xC_CO2 all reduce sum f_X_CO2 -fix molarFractionC_CO2 all ave/time 1 1 1 c_xC_CO2 -variable xC_CO2_1 equal f_molarFractionC_CO2 - -compute xC_H2O all reduce sum f_X_H2O -fix molarFractionC_H2O all ave/time 1 1 1 c_xC_H2O -variable xC_H2O_1 equal f_molarFractionC_H2O - -### Reactant gas mass change ### -compute dma_CO all reduce sum f_dmA_cfd5[1] f_dmA_cfd5[2] f_dmA_cfd5[3] -fix dmA_f_CO all ave/time 1 1 1 c_dma_CO[1] c_dma_CO[2] c_dma_CO[3] -variable dmA_CO_1 equal f_dmA_f_CO[1] -variable dmA_CO_2 equal f_dmA_f_CO[2] -variable dmA_CO_3 equal f_dmA_f_CO[3] - -compute dma_H2 all reduce sum f_dmA_cfd6[1] f_dmA_cfd6[2] f_dmA_cfd6[3] -fix dmA_f_H2 all ave/time 1 1 1 c_dma_H2[1] c_dma_H2[2] c_dma_H2[3] -variable dmA_H2_1 equal f_dmA_f_H2[1] -variable dmA_H2_2 equal f_dmA_f_H2[2] -variable dmA_H2_3 equal f_dmA_f_H2[3] - -### Write Mass change files to file ### -fix printdmA all print ${WI} "${time} ${dmA_CO_1} ${dmA_CO_2} ${dmA_CO_3} ${dmA_H2_1} ${dmA_H2_2} ${dmA_H2_3}" file dmA.dat title "#time dmA_CO_1 dmA_CO_2 dmA_CO_3 dmA_H2_1 dmA_H2_2 dmA_H2_3" - -### Write Outputs ### -fix printOutput all print ${WI} "${time} ${fr_1} ${fr_2} ${fr_3}" file Output.dat title "#time fr_1 fr_2 fr_3 " - -fix printAterm all print ${WI} "${time} ${mt_CO} ${mt_H2} ${a_CO_1} ${a_CO_2} ${a_CO_3} ${a_H2_1} ${a_H2_2} ${a_H2_3}" file Aterm.dat title "#time mt_CO mt_H2 a_CO_1 aCO_2 a_CO_3 a_H2_1 a_H2_2 a_H2_3" - -fix printBterm all print ${WI} "${time} ${b_CO_1} ${b_CO_2} ${b_CO_3} ${b_H2_1} ${b_H2_2} ${b_H2_3}" file Bterm.dat title "#time b_CO_1 b_CO_2 b_CO_3 b_H2_1 b_H2_2 b_H2_3" - -fix printDiffTerms all print ${WI} "${time} ${dij_CO_1} ${dij_CO_2} ${dij_CO_3} ${dij_H2_1} ${dij_H2_2} ${dij_H2_3} ${dik_CO_1} ${dik_CO_2} ${dik_CO_3} ${dik_H2_1} ${dik_H2_2} ${dik_H2_3} " file DiffTerm.dat title "#time dij_CO_1 dij_CO_2 dij_CO_3 dij_H2_1 dij_H2_2 dij_H2_3 dik_CO_1 dik_CO_2 dik_CO_3 dik_H2_1 dik_H2_2 dik_H2_3" - -fix printMassLayer all print ${WI} "${time} ${mL1} ${mL2} ${mL3} ${mL4}" file MassLayers.dat title "#time mL_Fe mL_w mL_m mL_h" - -fix printdmYLayer all print ${WI} "${time} ${dY_CO_1} ${dY_CO_2} ${dY_CO_3} ${dY_H2_1} ${dY_H2_2} ${dY_H2_3}" file dmY.dat title "#time dY_CO_1 dY_CO_2 dY_CO_3 dY_H2_1 dY_H2_2 dY_H2_3" - -fix molarFractions all print ${WI} "${time} ${xA_CO_1} ${xA_H2_1} ${xC_CO2_1} ${xC_H2O_1}" file molarFractions.dat title "#title x_CO x_H2 x_CO2 x_H2O" - -############################################### - -# screen output -compute rke all erotate/sphere -thermo_style custom step atoms ke c_rke vol -thermo 1000 -thermo_modify lost ignore norm no -compute_modify thermo_temp dynamic yes - -dump dmp all custom ${WI} ../DEM/post/dump.liggghts_run id type x y z vx vy vz fx fy fz omegax omegay omegaz radius - -dump tstdmp2 all custom 250000 ../DEM/post/dumptest.liggghts_run id type x y z vx vy vz f_Aterm_cfd5[1] f_Aterm_cfd5[2] f_Aterm_cfd5[3] f_Aterm_cfd6[1] f_Aterm_cfd6[2] f_Aterm_cfd6[3] f_Bterm_cfd5[1] f_Bterm_cfd5[2] f_Bterm_cfd5[3] f_Bterm_cfd6[1] f_Bterm_cfd6[2] f_Bterm_cfd6[3] f_Massterm_cfd5 f_Massterm_cfd6 f_X_CO f_X_H2 f_X_CO2 f_X_H2O f_fracRed[1] f_fracRed[2] f_fracRed[3] - -#dump tstdmp3 all custom 250000 ../DEM/post/dumpDIFF.liggghts_run id type x y z vx vy vz f_effDiffBinary_cfd5[1] f_effDiffBinary_cfd5[2] f_effDiffBinary_cfd5[3] f_effDiffBinary_cfd6[1] f_effDiffBinary_cfd6[2] f_effDiffBinary_cfd6[3] - -run 1 diff --git a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/DEM/post/restart/.gitignore b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/DEM/post/restart/.gitignore deleted file mode 100644 index e69de29b..00000000 diff --git a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/Spreitzer_R2 b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/Spreitzer_R2 deleted file mode 100644 index e2f42130..00000000 --- a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/Spreitzer_R2 +++ /dev/null @@ -1,20 +0,0 @@ -#!/bin/bash -#PBS -o fb.out -#PBS -V -#PBS -k oe -#PBS -j oe -#PBS -l nodes=1:ppn=8 -#PBS -l walltime=999:00:00 -#PBS -m ae -#PBS -M mustafa_efe.kinaci@jku.at - -source ~/.bashrc -source /apps/openfoam-4.0/OpenFOAM-4.x-version-4.0/etc/bashrc -source $HOME/CFDEM/CFDEMcoupling/etc/bashrc -module add icc gcc/4.9.1 - -caseDir=$HOME/CFDEM/CFDEMcoupling/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_R2 - -cd $caseDir - -./Allrun.sh diff --git a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/parCFDDEMrun.sh b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/parCFDDEMrun.sh deleted file mode 100755 index 6e7c877f..00000000 --- a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/parCFDDEMrun.sh +++ /dev/null @@ -1,95 +0,0 @@ -#!/bin/bash - -#===================================================================# -# allrun script for testcase -# M. Efe Kinaci - Sep 2018 -#===================================================================# - -#- source CFDEM env vars -. ~/.bashrc - -#- include functions -source $CFDEM_PROJECT_DIR/etc/functions.sh - -#--------------------------------------------------------------------------------# -#- define variables -casePath="$(dirname "$(readlink -f ${BASH_SOURCE[0]})")" -logpath=$casePath -headerText="testingFluidizedBed" -logfileName="log_$headerText" -solverName="cfdemSolverRhoPimpleChem" #"cfdemSolverPiso" # -nrProcs="8" -machineFileName="none" # yourMachinefileName | none -debugMode="off" # on | off| strict -testHarnessPath="$CFDEM_TEST_HARNESS_PATH" -runOctave="false" -postproc="true" - -#--------------------------------------------------------------------------------# - -#- call function to run a parallel CFD-DEM case -parCFDDEMrun $logpath $logfileName $casePath $headerText $solverName $nrProcs $machineFileName $debugMode - - -if [ $runOctave == "true" ] - then - #------------------------------# - # octave - - #- change path - cd octave - - #- rmove old graph - rm cfdemSolverPiso_ErgunTestMPI.eps - - #- run octave - octave totalPressureDrop.m - - #- show plot - evince cfdemSolverPiso_ErgunTestMPI.eps - - #- copy log file to test harness - cp ../../$logfileName $testHarnessPath - cp cfdemSolverPiso_ErgunTestMPI.eps $testHarnessPath -fi - -if [ $postproc == "true" ] - then - - #- keep terminal open (if started in new terminal) - echo "simulation finished? ...press enter to proceed" - read - - #- get VTK data from liggghts dump file - cd $casePath/DEM/post - python -i $CFDEM_LPP_DIR/lpp.py dump*.liggghts_run - - #- get VTK data from CFD sim - cd $casePath/CFD - reconstructPar - foamToVTK #- serial run of foamToVTK - #source $CFDEM_SRC_DIR/lagrangian/cfdemParticle/etc/functions.sh #- include functions - #pseudoParallelRun "foamToVTK" $nrPostProcProcessors #- pseudo parallel run of foamToVTK - - #- start paraview - paraview - - #- keep terminal open (if started in new terminal) - echo "...press enter to clean up case" - echo "press Ctr+C to keep data" - read - -fi - -#- clean up case -#echo "deleting data at: $casePath :\n" -#source $WM_PROJECT_DIR/bin/tools/CleanFunctions -#cd $casePath/CFD -#cleanCase -#rm -r $casePath/CFD/clockData -#rm $casePath/DEM/post/*.* -#touch $casePath/DEM/post/.gitignore -#rm $casePath/DEM/post/restart/*.* -#rm $casePath/DEM/post/restart/liggghts.restartCFDEM* -#touch $casePath/DEM/post/restart/.gitignore -#echo "done" diff --git a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/parDEMrun.sh b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/parDEMrun.sh deleted file mode 100755 index 98943a13..00000000 --- a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/parDEMrun.sh +++ /dev/null @@ -1,29 +0,0 @@ -#!/bin/bash - -#===================================================================# -# DEMrun script for testcase -# M. Efe Kinaci - Sep 2018 -#===================================================================# - -#- source CFDEM env vars -. ~/.bashrc - -#- include functions -source $CFDEM_PROJECT_DIR/etc/functions.sh - -echo "starting DEM run in parallel..." -#--------------------------------------------------------------------------------# -#- define variables -casePath="$(dirname "$(readlink -f ${BASH_SOURCE[0]})")" -logpath="$casePath" -headerText="run_liggghts_init_DEM" -logfileName="log_$headerText" -solverName="in.liggghts_init" -nrProcs=8 -machineFileName="none" -debugMode="off" -#--------------------------------------------------------------------------------# - -#- call function to run DEM case -parDEMrun $logpath $logfileName $casePath $headerText $solverName $nrProcs $machineFileName $debugMode - diff --git a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/plotResidual.sh b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/plotResidual.sh deleted file mode 100755 index 4f88e6f0..00000000 --- a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/plotResidual.sh +++ /dev/null @@ -1,14 +0,0 @@ -#!/bin/bash -# Open and plot the residuals for time/iteration and gas species - -casePath="$(dirname "$(readlink -f ${BASH_SOURCE[0]})")" - -cd $casePath -#echo "Load Gnuplot" -#gnuplot > load 'Residuals.plt' & -echo "Residual vs Time" -foamMonitor -l CFD/postProcessing/residuals/0/residuals.dat & -echo "gasResidual vs Time" -foamMonitor -l CFD/postProcessing/gasResidual/0/residuals.dat -wait - diff --git a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/postrun.sh b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/postrun.sh deleted file mode 100755 index 2a474cc3..00000000 --- a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/postrun.sh +++ /dev/null @@ -1,2 +0,0 @@ -#!/bin/bash -# nothing to see here \ No newline at end of file diff --git a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/prerun.sh b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/prerun.sh deleted file mode 100755 index bca98850..00000000 --- a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/prerun.sh +++ /dev/null @@ -1,18 +0,0 @@ -#!/bin/bash - -#- define variables -casePath="$(dirname "$(readlink -f ${BASH_SOURCE[0]})")" - -# check if mesh was built -if [ -f "$casePath/CFD/constant/polyMesh/boundary" ]; then - echo "mesh was built before - using old mesh" -else - echo "mesh needs to be built" - cd $casePath/CFD - blockMesh -fi - -# adapt settings for short run -cp $casePath/CFD/system/controlDict_test $casePath/CFD/system/controlDict -cp $casePath/CFD/system/decomposeParDict_test $casePath/CFD/system/decomposeParDict - diff --git a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/run.config b/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/run.config deleted file mode 100644 index 74ab523b..00000000 --- a/tutorials/cfdemSolverRhoPimpleChem/Spreitzer_FluidBedCases/Spreitzer_R2/run.config +++ /dev/null @@ -1,20 +0,0 @@ -{ - "type" : "CFDEMcoupling", - "runs" : [ - { - "name" : "liggghts-init", - "input_script" : "DEM/in.liggghts_init", - "type" : "liggghts/mpi", - "nprocs" : 4 - }, - { - "name" : "cfdemrun", - "depends_on" : "liggghts-init", - "solver" : "cfdemSolverRhoPimpleChem", - "type" : "CFDEMcoupling/mpi", - "nprocs" : 4, - "pre_scripts" : ["prerun.sh"], - "post_scripts" : ["postrun.sh"] - } - ] -} From 7fb0161ca89db2b8f5ec2d56d07f0542f78104f5 Mon Sep 17 00:00:00 2001 From: ekinaci Date: Wed, 18 Sep 2019 17:51:18 +0200 Subject: [PATCH 66/92] Add tutorial case for polydisperse R2 reaction with inert Quartz particles --- .../PolydisperseFluidizedBed/R2_FB/Allclean | 21 + .../PolydisperseFluidizedBed/R2_FB/Allrun.sh | 15 + .../PolydisperseFluidizedBed/R2_FB/CFD/0/CO | 45 +++ .../PolydisperseFluidizedBed/R2_FB/CFD/0/CO2 | 45 +++ .../PolydisperseFluidizedBed/R2_FB/CFD/0/H2 | 45 +++ .../PolydisperseFluidizedBed/R2_FB/CFD/0/H2O | 46 +++ .../PolydisperseFluidizedBed/R2_FB/CFD/0/Ksl | 41 ++ .../PolydisperseFluidizedBed/R2_FB/CFD/0/N2 | 41 ++ .../R2_FB/CFD/0/Qsource | 41 ++ .../PolydisperseFluidizedBed/R2_FB/CFD/0/T | 41 ++ .../R2_FB/CFD/0/Tsource | 50 +++ .../PolydisperseFluidizedBed/R2_FB/CFD/0/U | 45 +++ .../PolydisperseFluidizedBed/R2_FB/CFD/0/Us | 40 ++ .../R2_FB/CFD/0/addSource | 43 +++ .../R2_FB/CFD/0/alphat | 39 ++ .../R2_FB/CFD/0/dSauter | 40 ++ .../R2_FB/CFD/0/dSmoothing | 38 ++ .../R2_FB/CFD/0/epsilon | 43 +++ .../R2_FB/CFD/0/gradT | 37 ++ .../PolydisperseFluidizedBed/R2_FB/CFD/0/k | 43 +++ .../PolydisperseFluidizedBed/R2_FB/CFD/0/mut | 40 ++ .../PolydisperseFluidizedBed/R2_FB/CFD/0/nut | 44 +++ .../PolydisperseFluidizedBed/R2_FB/CFD/0/p | 41 ++ .../R2_FB/CFD/0/p.org | 42 ++ .../PolydisperseFluidizedBed/R2_FB/CFD/0/rho | 40 ++ .../R2_FB/CFD/0/voidfraction | 42 ++ .../R2_FB/CFD/0/wallQFactor | 43 +++ .../R2_FB/CFD/constant/chemistryProperties | 43 +++ .../R2_FB/CFD/constant/combustionProperties | 34 ++ .../R2_FB/CFD/constant/couplingProperties | 358 ++++++++++++++++++ .../R2_FB/CFD/constant/foam.dat | 111 ++++++ .../R2_FB/CFD/constant/foam.inp | 14 + .../R2_FB/CFD/constant/g | 22 ++ .../R2_FB/CFD/constant/liggghtsCommands | 43 +++ .../R2_FB/CFD/constant/polyMesh/blockMeshDict | 153 ++++++++ .../CFD/constant/polyMesh/cylinderMesh.m4 | 153 ++++++++ .../CFD/constant/thermophysicalProperties | 37 ++ .../R2_FB/CFD/constant/transportProperties | 44 +++ .../R2_FB/CFD/constant/turbulenceProperties | 20 + .../R2_FB/CFD/system/controlDict | 226 +++++++++++ .../R2_FB/CFD/system/decomposeParDict | 46 +++ .../R2_FB/CFD/system/fvOptions | 28 ++ .../R2_FB/CFD/system/fvSchemes | 83 ++++ .../R2_FB/CFD/system/fvSolution | 132 +++++++ .../R2_FB/CFD/system/probesDict | 59 +++ 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100644 tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/constant/polyMesh/cylinderMesh.m4 create mode 100644 tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/constant/thermophysicalProperties create mode 100644 tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/constant/transportProperties create mode 100644 tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/constant/turbulenceProperties create mode 100644 tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/system/controlDict create mode 100644 tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/system/decomposeParDict create mode 100644 tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/system/fvOptions create mode 100644 tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/system/fvSchemes create mode 100644 tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/system/fvSolution create mode 100644 tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/system/probesDict create mode 100644 tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/DEM/in.liggghts_init create mode 100644 tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/DEM/in.liggghts_run create mode 100755 tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/parCFDDEMrun.sh create mode 100755 tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/parDEMrun.sh create mode 100755 tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/postrun.sh create mode 100755 tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/prerun.sh create mode 100644 tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/run.config diff --git a/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/Allclean b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/Allclean new file mode 100644 index 00000000..0a5b74ec --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/Allclean @@ -0,0 +1,21 @@ +#!/bin/sh +#cd ${0%/*} || exit 1 # run from this directory + +# Source tutorial run functions +. $WM_PROJECT_DIR/bin/tools/CleanFunctions +source $CFDEM_PROJECT_DIR/etc/functions.sh + +#- define variables +casePath="$(dirname "$(readlink -f ${BASH_SOURCE[0]})")" +cd $casePath/CFD +cleanCase +rm $casePath/log* + +rm $casePath/DEM/post/liggghts_run* +rm $casePath/DEM/post/dump.liggghts_run +#mkdir $casePath/DEM/post +#mkdir $casePath/DEM/post/restart +#cd $casePath/DEM/post/restart +#touch liggghts.restart + +# ----------------------------------------------------------------- end-of-file diff --git a/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/Allrun.sh b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/Allrun.sh new file mode 100755 index 00000000..42728e0b --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/Allrun.sh @@ -0,0 +1,15 @@ +#!/bin/bash +#- source CFDEM env vars +. ~/.bashrc + +#- include functions +source $CFDEM_PROJECT_DIR/etc/functions.sh + +#- define variables +casePath="$(dirname "$(readlink -f ${BASH_SOURCE[0]})")" +export casePath +cd $casePath/CFD/ +blockMesh + +echo "Run Simulation" +bash $casePath/parCFDDEMrun.sh diff --git a/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/0/CO b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/0/CO new file mode 100644 index 00000000..89756f9a --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/0/CO @@ -0,0 +1,45 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + location "0"; + object CO; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [0 0 0 0 0 0 0]; + +internalField uniform 0.3801847328; + +boundaryField +{ + side-walls + { + type zeroGradient; + } + + inlet + { + type fixedValue; + value uniform 0.3801847328; + } + + outlet + { + type zeroGradient; +/* type inletOutlet; + value $internalField; + inletValue uniform 0.;*/ + } +} + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/0/CO2 b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/0/CO2 new file mode 100644 index 00000000..df317123 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/0/CO2 @@ -0,0 +1,45 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + location "0"; + object CO2; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [0 0 0 0 0 0 0]; + +internalField uniform 0.4376348444; + +boundaryField +{ + side-walls + { + type zeroGradient; + } + + inlet + { + type fixedValue; + value uniform 0.4376348444; + } + + outlet + { + type zeroGradient; + /*type inletOutlet; + value $internalField; + inletValue uniform 0.;*/ + } +} + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/0/H2 b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/0/H2 new file mode 100644 index 00000000..5cfb0ef4 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/0/H2 @@ -0,0 +1,45 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + location "0"; + object H2; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [0 0 0 0 0 0 0]; + +internalField uniform 0.0116562393; + +boundaryField +{ + side-walls + { + type zeroGradient; + } + + inlet + { + type fixedValue; + value uniform 0.0116562393; + } + + outlet + { + type zeroGradient; +/* type inletOutlet; + value $internalField; + inletValue uniform 0.; */ + } +} + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/0/H2O b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/0/H2O new file mode 100644 index 00000000..0b6320d0 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/0/H2O @@ -0,0 +1,46 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + location "0"; + object H2O; +} + +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [0 0 0 0 0 0 0]; + +internalField uniform 0.0444583296; + +boundaryField +{ + side-walls + { + type zeroGradient; + } + + inlet + { + type fixedValue; + value uniform 0.0444583296; + } + + outlet + { + type zeroGradient; +/* type inletOutlet; + value $internalField; + inletValue uniform 0.; */ + } +} + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/0/Ksl b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/0/Ksl new file mode 100644 index 00000000..86eabd42 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/0/Ksl @@ -0,0 +1,41 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 1.6 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + location "0"; + object Ksl; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [1 -3 -1 0 0 0 0]; + +internalField uniform 0.0; + +boundaryField +{ + side-walls + { + type zeroGradient; + } + + inlet + { + type zeroGradient; + } + + outlet + { + type zeroGradient; + } +} + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/0/N2 b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/0/N2 new file mode 100644 index 00000000..26edacef --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/0/N2 @@ -0,0 +1,41 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + location "0"; + object N2; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [0 0 0 0 0 0 0]; + +internalField uniform 0.1260658538; + +boundaryField +{ + side-walls + { + type zeroGradient; + } + + inlet + { + type fixedValue; + value uniform 0.1260658538; + } + + outlet + { + type zeroGradient; + } +} + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/0/Qsource b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/0/Qsource new file mode 100644 index 00000000..f8bb2a1c --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/0/Qsource @@ -0,0 +1,41 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + location "0"; + object Qsource; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [1 -1 -3 0 0 0 0]; + +internalField uniform 0; + +boundaryField +{ + side-walls + { + type zeroGradient; + } + + inlet + { + type zeroGradient; + } + + outlet + { + type zeroGradient; + } +} + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/0/T b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/0/T new file mode 100644 index 00000000..2f2c561e --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/0/T @@ -0,0 +1,41 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + location "0"; + object T; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [0 0 0 1 0 0 0]; + +internalField uniform 1023.15; + +boundaryField +{ + side-walls + { + type zeroGradient; + } + + inlet + { + type fixedValue; + value uniform 1023.15; + } + + outlet + { + type zeroGradient; + } +} + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/0/Tsource b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/0/Tsource new file mode 100644 index 00000000..271c00f2 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/0/Tsource @@ -0,0 +1,50 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 1.6 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + object Tsource; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [0 0 -1 1 0 0 0]; + +// Tsource[K/s] = q[W/m3]/(rho[kg/m3]*cp[W*s/(kg*K)]) +// Q=10 W +// V=0.01 m3 +// q=1000 W/m3 +// cp=1000 +// rho=1 +// --> Tsource = 1 + +internalField uniform 0; + +boundaryField +{ + side-walls + { + type zeroGradient; + value uniform 0; + } + + inlet + { + type zeroGradient; + value uniform 0; + } + outlet + { + type zeroGradient; + value uniform 0; + } +} + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/0/U b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/0/U new file mode 100644 index 00000000..30a13798 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/0/U @@ -0,0 +1,45 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volVectorField; + location "0"; + object U; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [0 1 -1 0 0 0 0]; + +internalField uniform (0.0 0.0 0.0); + +boundaryField +{ + side-walls + { + type noSlip; + } + inlet + { + type fixedValue; + value uniform (0.0 0.25 0.0); +/* type interstitialInletVelocity; + inletVelocity uniform (0 0.25 0); + alpha voidfraction; + value $internalField; */ + } + + outlet + { + type zeroGradient; + } +} + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/0/Us b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/0/Us new file mode 100644 index 00000000..541a2ec5 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/0/Us @@ -0,0 +1,40 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 1.6 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volVectorField; + location "0"; + object Us; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [0 1 -1 0 0 0 0]; + +internalField uniform (0 0 0); + +boundaryField +{ + side-walls + { + type zeroGradient; + } + + inlet + { + type zeroGradient; + } + + outlet + { + type zeroGradient; + } +} + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/0/addSource b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/0/addSource new file mode 100644 index 00000000..87a15a57 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/0/addSource @@ -0,0 +1,43 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 1.6 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + location "0"; + object addSource; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [1 -1 -3 0 0 0 0]; + +internalField uniform 0; + +boundaryField +{ + side-walls + { + type zeroGradient; + value uniform 0; + } + + inlet + { + type zeroGradient; + value uniform 0; + } + outlet + { + type zeroGradient; + value uniform 0; + } +} + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/0/alphat b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/0/alphat new file mode 100644 index 00000000..8106e0b0 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/0/alphat @@ -0,0 +1,39 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + location "0"; + object alphat; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [1 -1 -1 0 0 0 0]; + +internalField uniform 0; + +boundaryField +{ + side-walls + { + type zeroGradient; + } + inlet + { + type zeroGradient; + } + outlet + { + type zeroGradient; + } +} + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/0/dSauter b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/0/dSauter new file mode 100644 index 00000000..df79d7e5 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/0/dSauter @@ -0,0 +1,40 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + location "0"; + object dSauter; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [0 1 0 0 0 0 0]; + +internalField uniform 0.00022; + +boundaryField +{ + side-walls + { + type zeroGradient; + } + inlet + { + type zeroGradient; + } + + outlet + { + type zeroGradient; + } +} + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/0/dSmoothing b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/0/dSmoothing new file mode 100644 index 00000000..501d41e8 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/0/dSmoothing @@ -0,0 +1,38 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 1.6 | +| \\ / A nd | Web: http://www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + object dSmoothing; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [0 1 0 0 0 0 0]; + +internalField uniform 0; + +boundaryField +{ + side-walls + { + type zeroGradient; + } + + inlet + { + type zeroGradient; + } + + outlet + { + type zeroGradient; + } +} +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/0/epsilon b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/0/epsilon new file mode 100644 index 00000000..dad5dac8 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/0/epsilon @@ -0,0 +1,43 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + location "0"; + object epsilon; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [0 2 -3 0 0 0 0]; + +internalField uniform 0.003; + +boundaryField +{ + side-walls + { + type epsilonWallFunction; + value uniform 0.003; + } + inlet + { + type zeroGradient; + } + outlet + { + /*type inletOutlet; + inletValue uniform 0.003; + value uniform 0.003;*/ + type zeroGradient; + } +} + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/0/gradT b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/0/gradT new file mode 100644 index 00000000..1080d101 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/0/gradT @@ -0,0 +1,37 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volVectorField; + object gradT; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [0 -1 0 1 0 0 0]; + +internalField uniform (0 0 0); + +boundaryField +{ + side-walls + { + type zeroGradient; + } + inlet + { + type zeroGradient; + } + outlet + { + type zeroGradient; + } +} + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/0/k b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/0/k new file mode 100644 index 00000000..ce1670ab --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/0/k @@ -0,0 +1,43 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + location "0"; + object k; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [0 2 -2 0 0 0 0]; + +internalField uniform 0.001; + +boundaryField +{ + side-walls + { + type kqRWallFunction; + value uniform 0.001; + } + inlet + { + type zeroGradient; + } + outlet + { + /*type inletOutlet; + inletValue uniform 0.001; + value uniform 0.001;*/ + type zeroGradient; + } +} + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/0/mut b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/0/mut new file mode 100644 index 00000000..f90a472b --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/0/mut @@ -0,0 +1,40 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + location "0"; + object mut; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [1 -1 -1 0 0 0 0]; + +internalField uniform 0; + +boundaryField +{ + side-walls + { + type zeroGradient; + } + inlet + { + type zeroGradient; + } + + outlet + { + type zeroGradient; + } +} + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/0/nut b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/0/nut new file mode 100644 index 00000000..e76a04cf --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/0/nut @@ -0,0 +1,44 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 1.6 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + location "0"; + object nut; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [0 2 -1 0 0 0 0]; + +internalField uniform 0; + +boundaryField +{ + side-walls + { + type fixedValue; + value uniform 0; + } + + inlet + { + type calculated; + value uniform 0; + } + + outlet + { + type calculated; + value uniform 0; + } +} + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/0/p b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/0/p new file mode 100644 index 00000000..d4f7eccc --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/0/p @@ -0,0 +1,41 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + location "0"; + object p; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [1 -1 -2 0 0 0 0]; + +internalField uniform 140000; + +boundaryField +{ + side-walls + { + type zeroGradient; + } + inlet + { + type zeroGradient; + } + + outlet + { + type fixedValue; + value uniform 140000; + } +} + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/0/p.org b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/0/p.org new file mode 100644 index 00000000..84751b08 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/0/p.org @@ -0,0 +1,42 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + location "0"; + object p; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [1 -1 -2 0 0 0 0]; + +internalField uniform 140000; + +boundaryField +{ + side-walls + { + type zeroGradient; + } + + inlet + { + type zeroGradient; + } + + outlet + { + type fixedValue; + value uniform 140000; + } +} + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/0/rho b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/0/rho new file mode 100644 index 00000000..95e357af --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/0/rho @@ -0,0 +1,40 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 1.6 | +| \\ / A nd | Web: http://www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + object rho; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [1 -3 0 0 0 0 0]; + +internalField uniform 1.58; + +boundaryField +{ + side-walls + { + type zeroGradient; + } + + inlet + { + type zeroGradient; + } + + outlet + { + type zeroGradient; + } +} + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/0/voidfraction b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/0/voidfraction new file mode 100644 index 00000000..8bd68494 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/0/voidfraction @@ -0,0 +1,42 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 1.6 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + location "0"; + object voidfraction; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [0 0 0 0 0 0 0]; + +internalField uniform 1; + +boundaryField +{ + side-walls + { + type zeroGradient; + } + + inlet + { + //type zeroGradient; + type fixedValue; + value uniform 1; + } + + outlet + { + type zeroGradient; + } +} + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/0/wallQFactor b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/0/wallQFactor new file mode 100644 index 00000000..71d0d783 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/0/wallQFactor @@ -0,0 +1,43 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 1.6 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + location "0"; + object wallQFactor; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [0 0 0 0 0 0 0]; + +internalField uniform 1; + +boundaryField +{ + side-walls + { + type fixedValue; + value uniform 1; + } + + inlet + { + type fixedValue; + value uniform 1; + } + + outlet + { + type fixedValue; + value uniform 1; + } +} + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/constant/chemistryProperties b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/constant/chemistryProperties new file mode 100644 index 00000000..ded6fd22 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/constant/chemistryProperties @@ -0,0 +1,43 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + location "constant"; + object chemistryProperties; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +chemistry off; //on; + +/* +chemistryType +{ + chemistrySolver noChemistrySolver; + chemistryThermo rho; +} + +initialChemicalTimeStep 1e-07; + +/* +EulerImplicitCoeffs +{ + cTauChem 0.05; + equilibriumRateLimiter off; +} + +odeCoeffs +{ + solver seulex; + eps 0.05; +} */ + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/constant/combustionProperties b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/constant/combustionProperties new file mode 100644 index 00000000..487421c2 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/constant/combustionProperties @@ -0,0 +1,34 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + location "constant"; + object combustionProperties; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +combustionModel noCombustion; //PaSR; //PaSR; + +active false; //true; + +noCombustionCoeffs +{ +} + + +PaSRCoeffs +{ + Cmix 1.0; + turbulentReaction off; +} + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/constant/couplingProperties b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/constant/couplingProperties new file mode 100644 index 00000000..44fd00b8 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/constant/couplingProperties @@ -0,0 +1,358 @@ +/*---------------------------------------------------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 1.4 | +| \\ / A nd | Web: http://www.openfoam.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ + + +FoamFile +{ + version 2.0; + format ascii; + + root ""; + case ""; + instance ""; + local ""; + + class dictionary; + object couplingProperties; +} + +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +//===========================================================================// +// sub-models & settings + +modelType "A"; // A or B + +couplingInterval 50; + +voidFractionModel divided;//centre;// + +locateModel engine; //turboEngineM2M;// + +meshMotionModel noMeshMotion; + +regionModel allRegion; + +IOModel basicIO; + +probeModel off; + +dataExchangeModel twoWayMPI;//twoWayM2M;//twoWayFiles;//oneWayVTK;// + +averagingModel dense; + +clockModel off; //standardClock;// + +smoothingModel off;// localPSizeDiffSmoothing;// constDiffSmoothing; // + +forceModels +( + GidaspowDrag + gradPForce + viscForce +); + +energyModels +( + heatTransferGunn + reactionHeat +); + +thermCondModel SyamlalThermCond; + +chemistryModels +( + species + diffusionCoefficients + massTransferCoeff + // off +); + +momCoupleModels +( + implicitCouple +); + +turbulenceModelType "turbulenceProperties";//"LESProperties";// + +//===========================================================================// +// sub-model properties +reactionHeatProps +{ + reactionHeatName "reactionHeat"; + verbose false; +} + +heatTransferGunnProps +{ + partTempName "Temp"; + partHeatFluxName "convectiveHeatFlux"; + calcPartTempField true; + partRefTemp 1023; + implicit true; + verbose false; + interpolation false; +} + +speciesProps +{ + ChemistryFile "$casePath/CFD/constant/foam.inp"; + Nevery 1; + verbose false; + interpolation false; +} + +diffusionCoefficientsProps +{ + verbose false; + interpolation false; + ChemistryFile "$casePath/CFD/constant/foam.inp"; + diffusantGasNames ( CO + H2 + ); +} + +massTransferCoeffProps +{ + verbose false; + interpolation false; +} + +reactantPerParticleProps +{ +} + + +SyamlalThermCondProps +{ + voidfractionFieldName "voidfraction"; + rhoFieldName "rho"; +} + +LaEuScalarTempProps +{ + velFieldName "U"; + tempFieldName "T"; + voidfractionFieldName "voidfraction"; + partTempName "Temp"; + partHeatFluxName "convectiveHeatFlux"; + lambda 0.0256; + Cp 1007; +} + +localPSizeDiffSmoothingProps +{ + lowerLimit 0.1; + upperLimit 1e10; + dSmoothingLength 1.5e-3; + Csmoothing 1.0; +} + +constDiffSmoothingProps +{ + lowerLimit 0.1; + upperLimit 1e10; + smoothingLength 1.5e-3; +} + +implicitCoupleProps +{ + velFieldName "U"; + granVelFieldName "Us"; + voidfractionFieldName "voidfraction"; +} + +ArchimedesProps +{ + gravityFieldName "g"; +} + +gradPForceProps +{ + pFieldName "p"; + voidfractionFieldName "voidfraction"; + velocityFieldName "U"; + interpolation true; +} + +viscForceProps +{ + velocityFieldName "U"; + interpolation true; +} + +volWeightedAverageProps +{ + scalarFieldNames + ( + voidfraction + ); + vectorFieldNames + ( + ); + upperThreshold 0.999; + lowerThreshold 0; + verbose true; +} + +totalMomentumExchangeProps +{ + implicitMomExFieldName "Ksl"; + explicitMomExFieldName "none"; + fluidVelFieldName "U"; + granVelFieldName "Us"; +} + +GidaspowDragProps +{ + verbose true; + velFieldName "U"; + granVelFieldName "Us"; + voidfractionFieldName "voidfraction"; + interpolation true; //interpolation is on + phi 1; + //implForceDEM true; + //implForceDEMaccumulated true; + //explicitCorr true; +} + +BeetstraDragProps +{ + velFieldName "U"; + granVelFieldName "Us"; + gravityFieldName "g"; + voidfractionFieldName "voidfraction"; + interpolation false; + useFilteredDragModel ; + useParcelSizeDependentFilteredDrag ; + rhoP 4630.; + dPrim 0.00022; + rho 1.58; + nuf 1.126e-05; + g 9.81; + k 0.05; + aLimit 0.0; + verbose false; +} + +DEMbasedDragProps +{ + velFieldName "U"; + voidfractionFieldName "voidfraction"; +} + +DiFeliceDragProps +{ + //verbose true; + velFieldName "U"; + voidfractionFieldName "voidfraction"; + granVelFieldName "Us"; + interpolation false; +} + +KochHillDragProps +{ + verbose true; + velFieldName "U"; + voidfractionFieldName "voidfraction"; + interpolation false; + //forceSubModels + //( + // ImExCorr + //); + implForceDEM true; + //implForceDEMaccumulated true; + //explicitCorr true; +} + +RongDragProps +{ + verbose true; + velFieldName "U"; + voidfractionFieldName "voidfraction"; + interpolation false; + implForceDEM true; + implForceDEMaccumulated true; + granVelFieldName "Us"; +} + +virtualMassForceProps +{ + velFieldName "U"; +} + +particleCellVolumeProps +{ + upperThreshold 0.999; + lowerThreshold 0.; + verbose true; +} + +fieldStoreProps +{ + scalarFieldNames + ( + ); + + vectorFieldNames + ( + "U" + ); +} + +oneWayVTKProps +{ + couplingFilename "vtk_out%4.4d.vtk"; + maxNumberOfParticles 30000; +} + +twoWayFilesProps +{ + maxNumberOfParticles 10100; +} + +centreProps +{ + alphaMin 0.1; +} + +engineProps +{ + treeSearch true; +} + +turboEngineProps +{ + treeSearch true; +} + +turboEngineM2MProps +{ + turboEngineProps + { + treeSearch true; + } +} + +dividedProps +{ + alphaMin 0.01; + scaleUpVol 1.0; +} + +twoWayMPIProps +{ + liggghtsPath "../DEM/in.liggghts_run"; +} + +twoWayM2MProps +{ + maxNumberOfParticles 10100; + liggghtsPath "../DEM/in.liggghts_run"; +} +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/constant/foam.dat b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/constant/foam.dat new file mode 100644 index 00000000..5191ec94 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/constant/foam.dat @@ -0,0 +1,111 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + location "constant"; + object foam.dat; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // +H2 +{ + specie + { + nMoles 1; + molWeight 2.02; + } + thermodynamics + { + Cp 15016.8; + Hf 2.544e+06; + } + transport + { + mu 8.42e-05; + Pr 0.76; + } +} +H2O +{ + specie + { + nMoles 1; + molWeight 18.015; + } + thermodynamics + { + Cp 2304.1; + Hf 2.544e+06; + } + transport + { + mu 1.7e-05; + Pr 0.99; + } +} + +CO +{ + specie + { + nMoles 1; + molWeight 28.01; + } + thermodynamics + { + Cp 1189.14; + Hf 2.544e+06; + } + transport + { + mu 1.66e-05; + Pr 0.792; + } +} + +CO2 +{ + specie + { + nMoles 1; + molWeight 44.01; + } + thermodynamics + { + Cp 1239.98; + Hf 2.544e+06; + } + transport + { + mu 1.37e-05; + Pr 0.69; + } +} + +N2 +{ + specie + { + nMoles 1; + molWeight 28.0134; + } + thermodynamics + { + Cp 1171.6; + Hf 2.544e+06; + } + transport + { + mu 1.66e-05; + Pr 0.69; + } +} + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/constant/foam.inp b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/constant/foam.inp new file mode 100644 index 00000000..197268aa --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/constant/foam.inp @@ -0,0 +1,14 @@ +species +( + CO + CO2 + H2 + H2O + N2 +); + +reactions +{ +} + + diff --git a/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/constant/g b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/constant/g new file mode 100644 index 00000000..abca4e14 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/constant/g @@ -0,0 +1,22 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class uniformDimensionedVectorField; + location "constant"; + object g; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [0 1 -2 0 0 0 0]; +value ( 0 -9.81 0 ); + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/constant/liggghtsCommands b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/constant/liggghtsCommands new file mode 100644 index 00000000..ea16dec7 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/constant/liggghtsCommands @@ -0,0 +1,43 @@ +/*---------------------------------------------------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 1.4 | +| \\ / A nd | Web: http://www.openfoam.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ + + +FoamFile +{ + version 2.0; + format ascii; + + root ""; + case ""; + instance ""; + local ""; + + class dictionary; + object liggghtsCommands; +} + +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +liggghtsCommandModels +( + runLiggghts + writeLiggghts +); +// ************************************************************************* // + +/*runLiggghtsProps +{ + preNo false; +}*/ + +writeLiggghtsProps +{ + writeLast on; + writeName "post/restart/liggghts.restartCFDEM"; + overwrite on; +} diff --git a/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/constant/polyMesh/blockMeshDict b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/constant/polyMesh/blockMeshDict new file mode 100644 index 00000000..70b090ba --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/constant/polyMesh/blockMeshDict @@ -0,0 +1,153 @@ +// blockMesh : Block mesh description file +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + location "constant/polyMesh"; + object blockMeshDict; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + + + + + + + meshGenApp blockMesh; + convertToMeters 1.0; + + //68 mm column diameter + //150 mm length + + + + //Width of middle square section + + + + + //how many cells in the square section + //how many cells from square section to perimeter + // how many cells from top to bottom + + vertices + ( + ( 0.017 0.0 0.017) // Vertex fiveoclocksqb = 0 + (-0.017 0.0 0.017) // Vertex sevenoclocksqb = 1 + (-0.017 0.0 -0.017) // Vertex elevenoclocksqb = 2 + ( 0.017 0.0 -0.017) // Vertex oneoclocksqb = 3 + + ( 0.0240416305819187 0.0 0.0240416305387665) // Vertex fiveoclockcb = 4 + (-0.0240416305819187 0.0 0.0240416305387665) // Vertex sevenoclockcb = 5 + (-0.0240416305819187 0.0 -0.0240416305387665) // Vertex elevenoclockcb = 6 + ( 0.0240416305819187 0.0 -0.0240416305387665) // Vertex oneoclockcb = 7 + + ( 0.017 0.150 0.017) // Vertex fiveoclocksqt = 8 + (-0.017 0.150 0.017) // Vertex sevenoclocksqt = 9 + (-0.017 0.150 -0.017) // Vertex elevenoclocksqt = 10 + ( 0.017 0.150 -0.017) // Vertex oneoclocksqt = 11 + + ( 0.0240416305819187 0.150 0.0240416305387665) // Vertex fiveoclockct = 12 + (-0.0240416305819187 0.150 0.0240416305387665) // Vertex sevenoclockct = 13 + (-0.0240416305819187 0.150 -0.0240416305387665) // Vertex elevenoclockct = 14 + ( 0.0240416305819187 0.150 -0.0240416305387665) // Vertex oneoclockct = 15 + ); + + blocks + ( + //square block + hex ( + 1 0 3 2 + 9 8 11 10 + ) + (7 7 24) + simpleGrading (1 1 1) + + //slice1 + hex ( + 5 4 0 1 + 13 12 8 9 + ) + (7 3 24) + simpleGrading (1 1 1) + + //slice2 + hex ( + 1 2 6 5 + 9 10 14 13 + ) + (7 3 24) +simpleGrading (1 1 1) + + //slice3 + hex ( + 2 3 7 6 + 10 11 15 14 + ) + (7 3 24) +simpleGrading (1 1 1) + + //slice4 + hex ( + 3 0 4 7 + 11 8 12 15 + ) + (7 3 24) +simpleGrading (1 1 1) + + ); + + + //create the quarter circles + edges + ( + arc 4 5 (0.0 0.0 0.034) + arc 5 6 (-0.034 0.0 0.0) + arc 6 7 (0.0 0.0 -0.034) + arc 7 4 (0.034 0.0 0.0) + + arc 12 13 (0.0 0.150 0.034) + arc 13 14 (-0.034 0.150 0.0) + arc 14 15 (0.0 0.150 -0.034) + arc 15 12 (0.034 0.150 0.0) + + ); + + patches + ( + patch inlet + ( + (0 3 2 1) + (0 4 7 3) + (4 0 1 5) + (1 2 6 5) + (3 7 6 2) + ) + + patch outlet + ( + (8 11 10 9) + (8 12 15 11) + (12 8 9 13) + (9 10 14 13) + (11 15 14 10) + ) + + wall side-walls + ( + (5 4 12 13) + (5 13 14 6) + (6 14 15 7) + (7 15 12 4) + ) + +); + diff --git a/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/constant/polyMesh/cylinderMesh.m4 b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/constant/polyMesh/cylinderMesh.m4 new file mode 100644 index 00000000..e2f3b0a9 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/constant/polyMesh/cylinderMesh.m4 @@ -0,0 +1,153 @@ +// blockMesh : Block mesh description file +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + location "constant/polyMesh"; + object blockMeshDict; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // +changecom(//)changequote([,]) +define(calc, [esyscmd(perl -e 'printf ($1)')]) +define(VCOUNT, 0) +define(vlabel, [[// ]Vertex $1 = VCOUNT define($1, VCOUNT)define([VCOUNT], incr(VCOUNT))]) + + + meshGenApp blockMesh; + convertToMeters 1.0; + + define(D, 0.068) //68 mm column diameter + define(L, 0.150) //150 mm length + define(PI, 3.14159265) + + define(R, calc(D/2)) + define(CW, calc(D/4)) //Width of middle square section + + define(CX, calc(R*cos((PI/180)*45))) + define(CZ, calc(R*sin((PI/180)*45))) + + define(NPS, 7) //how many cells in the square section + define(NPD, 3) //how many cells from square section to perimeter + define(NPY, 24) // how many cells from top to bottom + + vertices + ( + ( CW 0.0 CW) vlabel(fiveoclocksqb) + (-CW 0.0 CW) vlabel(sevenoclocksqb) + (-CW 0.0 -CW) vlabel(elevenoclocksqb) + ( CW 0.0 -CW) vlabel(oneoclocksqb) + + ( CX 0.0 CZ) vlabel(fiveoclockcb) + (-CX 0.0 CZ) vlabel(sevenoclockcb) + (-CX 0.0 -CZ) vlabel(elevenoclockcb) + ( CX 0.0 -CZ) vlabel(oneoclockcb) + + ( CW L CW) vlabel(fiveoclocksqt) + (-CW L CW) vlabel(sevenoclocksqt) + (-CW L -CW) vlabel(elevenoclocksqt) + ( CW L -CW) vlabel(oneoclocksqt) + + ( CX L CZ) vlabel(fiveoclockct) + (-CX L CZ) vlabel(sevenoclockct) + (-CX L -CZ) vlabel(elevenoclockct) + ( CX L -CZ) vlabel(oneoclockct) + ); + + blocks + ( + //square block + hex ( + sevenoclocksqb fiveoclocksqb oneoclocksqb elevenoclocksqb + sevenoclocksqt fiveoclocksqt oneoclocksqt elevenoclocksqt + ) + (NPS NPS NPY) + simpleGrading (1 1 1) + + //slice1 + hex ( + sevenoclockcb fiveoclockcb fiveoclocksqb sevenoclocksqb + sevenoclockct fiveoclockct fiveoclocksqt sevenoclocksqt + ) + (NPS NPD NPY) + simpleGrading (1 1 1) + + //slice2 + hex ( + sevenoclocksqb elevenoclocksqb elevenoclockcb sevenoclockcb + sevenoclocksqt elevenoclocksqt elevenoclockct sevenoclockct + ) + (NPS NPD NPY) +simpleGrading (1 1 1) + + //slice3 + hex ( + elevenoclocksqb oneoclocksqb oneoclockcb elevenoclockcb + elevenoclocksqt oneoclocksqt oneoclockct elevenoclockct + ) + (NPS NPD NPY) +simpleGrading (1 1 1) + + //slice4 + hex ( + oneoclocksqb fiveoclocksqb fiveoclockcb oneoclockcb + oneoclocksqt fiveoclocksqt fiveoclockct oneoclockct + ) + (NPS NPD NPY) +simpleGrading (1 1 1) + + ); + + + //create the quarter circles + edges + ( + arc fiveoclockcb sevenoclockcb (0.0 0.0 R) + arc sevenoclockcb elevenoclockcb (-R 0.0 0.0) + arc elevenoclockcb oneoclockcb (0.0 0.0 -R) + arc oneoclockcb fiveoclockcb (R 0.0 0.0) + + arc fiveoclockct sevenoclockct (0.0 L R) + arc sevenoclockct elevenoclockct (-R L 0.0) + arc elevenoclockct oneoclockct (0.0 L -R) + arc oneoclockct fiveoclockct (R L 0.0) + + ); + + patches + ( + patch inlet + ( + (fiveoclocksqb oneoclocksqb elevenoclocksqb sevenoclocksqb) + (fiveoclocksqb fiveoclockcb oneoclockcb oneoclocksqb) + (fiveoclockcb fiveoclocksqb sevenoclocksqb sevenoclockcb) + (sevenoclocksqb elevenoclocksqb elevenoclockcb sevenoclockcb) + (oneoclocksqb oneoclockcb elevenoclockcb elevenoclocksqb) + ) + + patch outlet + ( + (fiveoclocksqt oneoclocksqt elevenoclocksqt sevenoclocksqt) + (fiveoclocksqt fiveoclockct oneoclockct oneoclocksqt) + (fiveoclockct fiveoclocksqt sevenoclocksqt sevenoclockct) + (sevenoclocksqt elevenoclocksqt elevenoclockct sevenoclockct) + (oneoclocksqt oneoclockct elevenoclockct elevenoclocksqt) + ) + + wall side-walls + ( + (sevenoclockcb fiveoclockcb fiveoclockct sevenoclockct) + (sevenoclockcb sevenoclockct elevenoclockct elevenoclockcb) + (elevenoclockcb elevenoclockct oneoclockct oneoclockcb) + (oneoclockcb oneoclockct fiveoclockct fiveoclockcb) + ) + +); + diff --git a/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/constant/thermophysicalProperties b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/constant/thermophysicalProperties new file mode 100644 index 00000000..7f498e00 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/constant/thermophysicalProperties @@ -0,0 +1,37 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + location "constant"; + object thermophysicalProperties; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +thermoType +{ + type heRhoThermo; //hePsiThermo; // + mixture reactingMixture; //species and reactions are listed in chemistry file + transport const; //sutherland; //calcualtes viscosity as a function of temperature from Stuherland coefficient As and Ts + thermo hConst; //janaf; + equationOfState perfectGas; + energy sensibleInternalEnergy; //sensibleEnthalpy; //uses enthaly in the solution + specie specie; +} + +chemistryReader foamChemistryReader; + +foamChemistryThermoFile "$casePath/CFD/constant/foam.dat"; + +foamChemistryFile "$casePath/CFD/constant/foam.inp"; + +inertSpecie N2; + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/constant/transportProperties b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/constant/transportProperties new file mode 100644 index 00000000..7eea21c2 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/constant/transportProperties @@ -0,0 +1,44 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 1.6 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + location "constant"; + object transportProperties; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +transportModel Newtonian; + +nu nu [ 0 2 -1 0 0 0 0 ] 1.126e-05; // + +kf kf [ 1 1 -3 -1 0 0 0 ] 0.0507; // comes from energy model + +Cp Cp [ 0 2 -2 -1 0 0 0 ] 1118.15; // comes from energy model + + +// ******* Non-Newtonian transport properties ************************ // +/*CrossPowerLawCoeffs +{ + nu0 nu0 [ 0 2 -1 0 0 0 0 ] 1e-06; + nuInf nuInf [ 0 2 -1 0 0 0 0 ] 1e-06; + m m [ 0 0 1 0 0 0 0 ] 1; + n n [ 0 0 0 0 0 0 0 ] 1; +} + +BirdCarreauCoeffs +{ + nu0 nu0 [ 0 2 -1 0 0 0 0 ] 1e-06; + nuInf nuInf [ 0 2 -1 0 0 0 0 ] 1e-06; + k k [ 0 0 1 0 0 0 0 ] 0; + n n [ 0 0 0 0 0 0 0 ] 1; +} +*/ +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/constant/turbulenceProperties b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/constant/turbulenceProperties new file mode 100644 index 00000000..d1156961 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/constant/turbulenceProperties @@ -0,0 +1,20 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + location "constant"; + object turbulenceProperties; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +simulationType laminar; + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/system/controlDict b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/system/controlDict new file mode 100644 index 00000000..0a1e3dac --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/system/controlDict @@ -0,0 +1,226 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + location "system"; + object controlDict; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +application cfdemSolverRhoPimpleChem; + +startFrom startTime; + +startTime 0.0; + +stopAt endTime; + +endTime 120.0; + +deltaT 0.00025; + +writeControl runTime; //timeStep; // + +writeInterval 0.25; //4000; //0.5; //5000; + +purgeWrite 0; + +writeFormat ascii; + +writePrecision 6; + +writeCompression off; + +timeFormat general; + +timePrecision 6; + +runTimeModifiable true; + +adjustTimeStep no; + +maxCo 0.5; + +maxDeltaT 0.1; + + +// ************************************************************************* // + libs ( + "libfieldFunctionObjects.so" + ); + +functions +{ + moleFrac + { + type rhoReactionThermoMoleFractions; + } + + probes1 + { + type probes; + functionObjectLibs ("libsampling.so"); + #include "probesDict"; + } + + + fieldMinMax_T + { + type fieldMinMax; + libs ("libfieldFunctionObjects.so"); + fields (T); + // Report the location of the field extrema + location yes; + // Type of extrema for rank > 0 primitives + mode magnitude; // magnitude | component + } + + fieldMinMax_Cpv + { + type fieldMinMax; + libs ("libfieldFunctionObjects.so"); + fields (Cpv); + // Report the location of the field extrema + location yes; + // Type of extrema for rank > 0 primitives + mode magnitude; // magnitude | component + } + + fieldMinMax_partTemp + { + type fieldMinMax; + libs ("libfieldFunctionObjects.so"); + fields (partTemp); + location yes; + mode magnitude; + } + + globalMassFrac + { + type volRegion; + libs ("libfieldFunctionObjects.so"); + writeControl timeStep;//outputTime; + writeInterval 1; + log true; + writeFields false; + regionType all; + name c0; + operation weightedVolAverage; + weightField rhoeps; + fields + ( + H2 + H2O + CO2 + CO + N2 + ); + } + + globalMass + { + type volRegion; + libs ("libfieldFunctionObjects.so"); + writeControl timeStep;//outputTime; + writeInterval 1; + log true; + writeFields false; + regionType all; + name c1; + operation volIntegrate; + fields + ( + rhoeps + rho + ); + } + + inflow_GasSpecies + { + type surfaceRegion; + libs ("libfieldFunctionObjects.so"); + writeControl timeStep; + writeInterval 100; + log true; + // Output field values as well + writeFields false; + regionType patch; + name inlet; + operation sum;//areaIntegrate; + + fields + ( + CO + CO2 + H2 + H2O + N2 + ); + } + + inflow_phi + { + type surfaceRegion; + libs ("libfieldFunctionObjects.so"); + writeControl timeStep; + writeInterval 100; + log true; + // Output field values as well + writeFields false; + regionType patch; + name inlet; + operation sum;//areaIntegrate; + + fields + ( + phi + ); + } + + inflow_U + { + type surfaceRegion; + libs ("libfieldFunctionObjects.so"); + writeControl timeStep; + writeInterval 100; + log true; + // Output field values as well + writeFields false; + regionType patch; + name inlet; + operation sum;//areaIntegrate; + + fields + ( + U + ); + } + + outflow_GasSpecies + { + $inflow_GasSpecies; + name outlet; + } + + outflow_phi + { + $inflow_phi; + name outlet; + } + + outflow_U + { + $inflow_U; + name outlet; + } +} + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/system/decomposeParDict b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/system/decomposeParDict new file mode 100644 index 00000000..7fe2c0f0 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/system/decomposeParDict @@ -0,0 +1,46 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + location "system"; + object decomposeParDict; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +numberOfSubdomains 8; + +//method scotch; +method simple; + +simpleCoeffs +{ + n (2 2 2); + delta 0.001; +} + +hierarchicalCoeffs +{ + n ( 1 1 1 ); + delta 0.001; + order xyz; +} + +manualCoeffs +{ + dataFile ""; +} + +distributed no; + +roots ( ); + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/system/fvOptions b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/system/fvOptions new file mode 100644 index 00000000..5cec3738 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/system/fvOptions @@ -0,0 +1,28 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + location "system"; + object fvOptions; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // +limitedTemperature +{ + type limitTemperature; + active yes; + limitTemperatureCoeffs + { + active yes; + selectionMode all; + Tmin 1020; + Tmax 1500; + } +} \ No newline at end of file diff --git a/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/system/fvSchemes b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/system/fvSchemes new file mode 100644 index 00000000..a819f794 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/system/fvSchemes @@ -0,0 +1,83 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + location "system"; + object fvSchemes; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +ddtSchemes +{ + default Euler; +} + +gradSchemes +{ + default Gauss linear; + grad(p) cellMDLimited leastSquares 0.5; + grad(U) cellMDLimited leastSquares 0.5; //cellLimited Gauss linear 1; // + grad(h) cellMDLimited leastSquares 0.5; + grad(e) cellMDLimited leastSquares 0.5; +} + +divSchemes +{ + default Gauss linear; + + div(phi,U) Gauss limitedLinear 1; //Gauss linear; //Gauss limitedLinear 1; // //Gauss limitedLinearV 1; // + div(phid,p) Gauss limitedLinear 1; //Gauss upwind; //Gauss limitedLinearV 1; + div(phi,K) Gauss limitedLinear 1; + div(phi,h) Gauss limitedLinear 1; //Gauss upwind; + div(phi,k) Gauss limitedLinear 1; //Gauss upwind; + div(phi,epsilon) Gauss limitedLinear 1; //Gauss upwind; + div(U) Gauss limitedLinear 1; + div(phi,Yi_h) Gauss multivariateSelection + { + CO limitedLinear01 1; + H2 limitedLinear01 1; + N2 limitedLinear01 1; + H2O limitedLinear01 1; + CO2 limitedLinear01 1; + h limitedLinear 1; + e limitedLinear 1; + } + // div((muEff*dev2(T(grad(U))))) Gauss linear; + div((viscousTerm*dev2(grad(U).T()))) Gauss linear; + div((thermo:mu*dev(grad(U).T()))) Gauss linear; + div((nuEff*dev2(T(grad(U))))) Gauss linear; + div(phi,T) Gauss limitedLinear 1; +} + +laplacianSchemes +{ + default Gauss linear corrected; //Gauss linear orthogonal; +} + +interpolationSchemes +{ + default linear; + interpolate(U) linear; +} + +snGradSchemes +{ + default corrected; //orthogonal; +} + +fluxRequired +{ + default no; + p ; +} + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/system/fvSolution b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/system/fvSolution new file mode 100644 index 00000000..1e54f5d8 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/system/fvSolution @@ -0,0 +1,132 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + location "system"; + object fvSolution; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // +solvers +{ + p + { + solver PCG; + preconditioner DIC; + tolerance 1e-6; + relTol 0.01; + /*solver GAMG; + tolerance 1e-06; + relTol 0.01; + smoother GaussSeidel; + nPreSweeps 0; + nPostSweeps 2; + nFinestSweeps 2; + cacheAgglomeration on; + nCellsInCoarsestLevel 10; + agglomerator faceAreaPair; + mergeLevels 1; */ + } + + pFinal + { + $p; + tolerance 1e-06; + relTol 0; + } + + "(rho|G)" + { + solver PCG; + preconditioner DIC; + tolerance 1e-6; + relTol 0.01; + /*solver smoothSolver; + smoother symGaussSeidel; + tolerance 1e-6; + relTol 0.1; + nSweeps 3;*/ + } + + "(rho|G)Final" + { + $rho; + tolerance 1e-06; + relTol 0; + } + + "(U|h|e|R|k|epsilon)" + { + solver smoothSolver; + smoother symGaussSeidel; + tolerance 1e-05; + relTol 0.1; + maxIter 100; + } + + "(U|h|e|R|k|epsilon)Final" + { + $U; + tolerance 1e-05; + relTol 0; + } + + "(Yi|CO|CO2|H2|H2O|N2)" + { + solver smoothSolver; + smoother symGaussSeidel; + tolerance 1e-06; + relTol 0.01; + maxIter 100; + } + + "(Yi|CO|CO2|H2|H2O|N2)Final" + { + $Yi; + tolerance 1e-06; + relTol 0; + maxIter 100; + } + + T + { + solver PBiCG; + preconditioner DILU; + tolerance 1e-8; + relTol 0; + } +} + +PIMPLE +{ + momentumPredictor yes; + nOuterCorrectors 5; + nCorrectors 2; + nNonOrthogonalCorrectors 0; + rhoMin rhoMin [ 1 -3 0 0 0 ] 0.4; + rhoMax rhoMax [ 1 -3 0 0 0 ] 2.0; +} + +relaxationFactors +{ + fields + { + T 0.5; + "(Yi|CO|CO2|H2|H2O|N2)" 0.6; + p 0.6; + } + equations + { + ".*" 0.8; + "(h|e).*" 0.5; + } +} + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/system/probesDict b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/system/probesDict new file mode 100644 index 00000000..bad69162 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/system/probesDict @@ -0,0 +1,59 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \ / O peration | Version: 2.1.x | +| \ / A nd | Web: www.OpenFOAM.org | +| \/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + object probesDict; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + + + +fields +( + rho + p + T + Cpv + N2 + CO2 + CO + H2 + H2O + ModSpeciesMassField_N2 + ModSpeciesMassField_CO2 + ModSpeciesMassField_CO + ModSpeciesMassField_H2 + ModSpeciesMassField_H2O + X_CO + X_CO2 + X_H2 + X_N2 + X_H2O + X_N2 + +); + +writeControl timeStep; +writeInterval 10000; + + +// Locations to be probed. +probeLocations +( + (0.03 0.025 0.03) + (0.03 0.05 0.03) + (0.03 0.075 0.03) + (0.03 0.09 0.03) + (0.03 0.12 0.03) +); + +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + diff --git a/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/DEM/in.liggghts_init b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/DEM/in.liggghts_init new file mode 100644 index 00000000..8456fd19 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/DEM/in.liggghts_init @@ -0,0 +1,84 @@ +# Particle insertion into domain +coarsegraining 7.0 model_check error +atom_style granular +atom_modify map array + +communicate single vel yes +boundary f f f +newton off + +units si +processors 2 2 2 + +region reg block -0.034 0.034 0.000 0.15 -0.034 0.034 +create_box 2 reg + +neighbor 1e-4 bin +neigh_modify delay 0 + +# Material properties required for granular pair styles +fix m1 all property/global youngsModulus peratomtype 5.e6 5.e6 +fix m2 all property/global poissonsRatio peratomtype 0.45 0.45 +fix m3 all property/global coefficientRestitution peratomtypepair 2 0.3 0.3 0.3 0.3 +fix m4 all property/global coefficientFriction peratomtypepair 2 0.5 0.5 0.5 0.5 + +# pair style +pair_style gran model hertz tangential history +pair_coeff * * + +# timestep, gravity +timestep 1e-6 +fix gravi all gravity 9.81 vector 0.0 -1.0 0.0 + +# walls +fix zwalls1 all wall/gran model hertz tangential history primitive type 1 yplane 0.000 +fix zwalls2 all wall/gran model hertz tangential history primitive type 1 yplane 0.15 +fix cylwalls all wall/gran model hertz tangential history primitive type 1 ycylinder 0.034 0. 0. + +# particle distributions and insertion +region insreg1 cylinder y 0.0 0.0 0.034 0.00 0.15 units box + +#insert Quartz particles +fix pts5 all particletemplate/sphere 61 atom_type 2 density constant 2630 radius constant 0.00025 +fix pdd2 all particledistribution/discrete 1 1 pts5 1.0 + +#insert iron-ore range +fix pts1 all particletemplate/sphere 21 atom_type 1 density constant 4300 radius constant 0.000375 +fix pts2 all particletemplate/sphere 31 atom_type 1 density constant 4300 radius constant 0.000188 +fix pts3 all particletemplate/sphere 41 atom_type 1 density constant 4300 radius constant 0.000125 +fix pts4 all particletemplate/sphere 51 atom_type 1 density constant 4300 radius constant 6.25E-05 + +fix pdd1 all particledistribution/discrete 1 4 pts1 0.228 pts2 0.286 pts3 0.332 pts4 0.154 + +fix ts_check all check/timestep/gran 10 0.1 0.1 + +# apply nve integration to all particles that are inserted as single particles +fix integr all nve/sphere + +fix ins2 all insert/pack seed 5331 distributiontemplate pdd2 & + maxattempt 1000 insert_every once overlapcheck yes all_in yes vel constant 0.0 0.0 0.0 & + region insreg1 mass_in_region 0.2 + +run 150000 + +fix ins1 all insert/pack seed 5330 distributiontemplate pdd1 & + maxattempt 1000 insert_every once overlapcheck yes all_in yes vel constant 0.0 0.0 0.0 & + region insreg1 mass_in_region 0.365 + +#make groups +group ore type 1 +group quartz type 2 + +# screen output +compute rke all erotate/sphere +thermo_style custom step atoms ke c_rke vol +thermo 1000 +thermo_modify lost ignore norm no +compute_modify thermo_temp dynamic yes + +# insert the first particles so that dump is not empty +run 1 +dump dmp all custom 5000 post/dump.liggghts_init id type x y z vx vy vz fx fy fz radius mass + +run 300000 upto +write_restart post/restart/liggghts.restart diff --git a/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/DEM/in.liggghts_run b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/DEM/in.liggghts_run new file mode 100644 index 00000000..df930752 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/DEM/in.liggghts_run @@ -0,0 +1,282 @@ +# Pour granular particles into chute container, then induce flow +log ../DEM/log.liggghts +thermo_log ../DEM/post/thermo.txt + +coarsegraining 7.0 model_check error + +atom_style granular +atom_modify map array +communicate single vel yes + +boundary f f f +newton off + +units si +processors 2 2 2 + +# read the restart file +read_restart ../DEM/post/restart/liggghts.restart + +neighbor 1e-4 bin +neigh_modify delay 0 + +# Material properties required for granular pair styles +fix m1 all property/global youngsModulus peratomtype 5.e6 5.e6 +fix m2 all property/global poissonsRatio peratomtype 0.45 0.45 +fix m3 all property/global coefficientRestitution peratomtypepair 2 0.3 0.3 0.3 0.3 +fix m4 all property/global coefficientFriction peratomtypepair 2 0.5 0.5 0.5 0.5 + +# pair style +pair_style gran model hertz tangential history # Hertzian without cohesion +pair_coeff * * + +# timestep, gravity +timestep 0.000005 +fix gravi all gravity 9.81 vector 0.0 -1.0 0.0 + +# walls +fix zwalls1 all wall/gran model hertz tangential history primitive type 1 yplane 0.000 +fix zwalls2 all wall/gran model hertz tangential history primitive type 1 yplane 0.15 +fix cylwalls all wall/gran model hertz tangential history primitive type 1 ycylinder 0.034 0. 0. + +# Thermal properties +fix ftco all property/global thermalConductivity peratomtype 1.4 1.4 +fix ftca all property/global thermalCapacity peratomtype 3000 5000 + +#re-make groups +group ore type 1 +group quartz type 2 + +############################################### +fix ts_check all check/timestep/gran 10 0.1 0.1 + +############### +# cfd coupling +fix cfd all couple/cfd couple_every 50 mpi +fix cfd2 all couple/cfd/force + +# apply nve integration to all particles that are inserted as single particles +fix integr all nve/sphere + +#compute kinetic energy of particles to see if they are moving changing +compute KinEn all ke +variable ke_tot equal c_KinEn + +# this one invokes heat transfer calculation, transfers per-particle temperature and adds convective heat flux to particles +fix tconv all couple/cfd/convection T0 1022 + +############### +# this should invoke chemistry +fix cfd3 ore couple/cfd/chemistry n_species 5 species_names H2 H2O CO CO2 N2 n_diff 2 diffusant_names CO H2 + +# Activate for 3-layer unreacted core shrink model +fix cfd5 ore chem/shrink/core speciesA CO molMassA 0.02801 speciesC CO2 molMassC 0.04401 scale_reduction_rate 10.0 screen no +fix cfd6 ore chem/shrink/core speciesA H2 molMassA 0.00202 speciesC H2O molMassC 0.01801 scale_reduction_rate 10.0 screen no + +# Material properties for chemical reaction +fix k0_CO ore property/atom k0_cfd5 vector yes no no 17 25 2700 +fix Ea_CO ore property/atom Ea_cfd5 vector yes no no 69488 95000 130940 + +fix k0_H2 ore property/atom k0_cfd6 vector yes no no 30 23 160 +fix Ea_H2 ore property/atom Ea_cfd6 vector yes no no 63627 85000 105908 + +# particle parameters +fix porosity ore property/atom porosity_ vector yes no no 0.61 0.34 0.19 0.17 +fix tortuosity ore property/global tortuosity_ scalar 3 +fix pore_diameter ore property/global pore_diameter_ scalar 1.e-7 + + +# define layer properties +fix LayerRelRadii ore property/atom relRadii vector yes no no 1.0 0.998 0.995 0.98 + +### define fix for mass layer - initial testing +fix LayerMasses ore property/atom massLayer vector yes no no 0. 0. 0. 0. +fix LayerDennsities ore property/global density_ore vector 7870. 5740. 5170. 5240. + +## define fix for rho_eff and fracRed - initialize as zero +fix fracRed ore property/atom fracRed_ore vector yes no no 0. 0. 0. +fix rhoeff ore property/atom rhoeff vector yes no no 0. 0. 0. 0. + +############### +# Write data into files for post-processing +group part type 1 + +variable np equal count(part) +variable WI equal 100000 +variable time equal time + +compute fr_1 all reduce sum f_fracRed[1] f_fracRed[2] f_fracRed[3] +fix fr_d1 all ave/time 1 1 1 c_fr_1[1] c_fr_1[2] c_fr_1[3] +variable fr_d1_1 equal f_fr_d1[1] +variable fr_d1_2 equal f_fr_d1[2] +variable fr_d1_3 equal f_fr_d1[3] + +# Calculate total fractional reduction to be written into the dump file for postProcessing/graphical representation +variable frOV_d1 equal 1/9*(f_fr_d1[3])+2/9*(f_fr_d1[2])+6/9*(f_fr_d1[1]) + +fix printfr1 all print ${WI} "${time} ${fr_d1_1} ${fr_d1_2} ${fr_d1_3} ${frOV_d1}" file fr_d1.dat title "#time fr_d1_1 fr_d1_2 fr_d1_3 fr_overall_d1" + +variable fr_1_divided equal f_fr_d1[1]/${np} +variable fr_2_divided equal f_fr_d1[2]/${np} +variable fr_3_divided equal f_fr_d1[3]/${np} +variable frOV_divided equal 1/9*v_fr_3_divided+2/9*v_fr_2_divided+6/9*v_fr_1_divided + +fix printfrdividied all print ${WI} "${time} ${fr_1_divided} ${fr_2_divided} ${fr_3_divided} ${frOV_divided}" file frDivided.dat title "#time fr_1 fr_2 fr_3 frOV" + +### Reactant gas mass change ### +compute dma_CO all reduce sum f_dmA_cfd5[1] f_dmA_cfd5[2] f_dmA_cfd5[3] +fix dmA_f_CO all ave/time 1 1 1 c_dma_CO[1] c_dma_CO[2] c_dma_CO[3] +variable dmA_CO_1 equal f_dmA_f_CO[1] +variable dmA_CO_2 equal f_dmA_f_CO[2] +variable dmA_CO_3 equal f_dmA_f_CO[3] + +compute dma_H2 all reduce sum f_dmA_cfd6[1] f_dmA_cfd6[2] f_dmA_cfd6[3] +fix dmA_f_H2 all ave/time 1 1 1 c_dma_H2[1] c_dma_H2[2] c_dma_H2[3] +variable dmA_H2_1 equal f_dmA_f_H2[1] +variable dmA_H2_2 equal f_dmA_f_H2[2] +variable dmA_H2_3 equal f_dmA_f_H2[3] + +### Write Mass change files to file ### +fix printdmA all print ${WI} "${time} ${dmA_CO_1} ${dmA_CO_2} ${dmA_CO_3} ${dmA_H2_1} ${dmA_H2_2} ${dmA_H2_3}" file dmA.dat title "#time dmA_CO_1 dmA_CO_2 dmA_CO_3 dmA_H2_1 dmA_H2_2 dmA_H2_3" + +############### + +compute Aterm_red_CO all reduce sum f_Aterm_cfd5[1] f_Aterm_cfd5[2] f_Aterm_cfd5[3] +fix Aterm1 all ave/time 10 1 10 c_Aterm_red_CO[1] c_Aterm_red_CO[2] c_Aterm_red_CO[3] +variable a_CO_1 equal f_Aterm1[1] +variable a_CO_2 equal f_Aterm1[2] +variable a_CO_3 equal f_Aterm1[3] + +compute Aterm_red_H2 all reduce sum f_Aterm_cfd6[1] f_Aterm_cfd6[2] f_Aterm_cfd6[3] +fix Aterm2 all ave/time 10 1 10 c_Aterm_red_H2[1] c_Aterm_red_H2[2] c_Aterm_red_H2[3] +variable a_H2_1 equal f_Aterm2[1] +variable a_H2_2 equal f_Aterm2[2] +variable a_H2_3 equal f_Aterm2[3] + +compute Bterm_red_CO all reduce sum f_Bterm_cfd5[1] f_Bterm_cfd5[2] f_Bterm_cfd5[3] +fix Bterm1 all ave/time 10 1 10 c_Bterm_red_CO[1] c_Bterm_red_CO[2] c_Bterm_red_CO[3] +variable b_CO_1 equal f_Bterm1[1] +variable b_CO_2 equal f_Bterm1[2] +variable b_CO_3 equal f_Bterm1[3] + +compute Bterm_red_H2 all reduce sum f_Bterm_cfd6[1] f_Bterm_cfd6[2] f_Bterm_cfd6[3] +fix Bterm2 all ave/time 10 1 10 c_Bterm_red_H2[1] c_Bterm_red_H2[2] c_Bterm_red_H2[3] +variable b_H2_1 equal f_Bterm2[1] +variable b_H2_2 equal f_Bterm2[2] +variable b_H2_3 equal f_Bterm2[3] + +compute Massterm_red_CO all reduce sum f_Massterm_cfd5 +fix Massterm1 all ave/time 10 1 10 c_Massterm_red_CO +variable mt_CO equal f_Massterm1 + +compute Massterm_red_H2 all reduce sum f_Massterm_cfd6 +fix Massterm2 all ave/time 10 1 10 c_Massterm_red_H2 +variable mt_H2 equal f_Massterm2 + +fix printAterm all print ${WI} "${time} ${a_CO_1} ${a_CO_2} ${a_CO_3} ${a_H2_1} ${a_H2_2} ${a_H2_3}" file Aterm.dat title "#time a_CO_1 aCO_2 a_CO_3 a_H2_1 a_H2_2 a_H2_3" + +fix printBterm all print ${WI} "${time} ${b_CO_1} ${b_CO_2} ${b_CO_3} ${b_H2_1} ${b_H2_2} ${b_H2_3}" file Bterm.dat title "#time b_CO_1 b_CO_2 b_CO_3 b_H2_1 b_H2_2 b_H2_3" + +fix printMterm all print ${WI} "${time} ${mt_CO} ${mt_H2}" file Mterm.dat title "#time mt_CO mt_H2" + +############### +compute mass_layer all reduce sum f_LayerMasses[1] f_LayerMasses[2] f_LayerMasses[3] f_LayerMasses[4] +fix massLayerPrintout all ave/time 1 1 1 c_mass_layer[1] c_mass_layer[2] c_mass_layer[3] c_mass_layer[4] +variable mL1 equal f_massLayerPrintout[1] +variable mL2 equal f_massLayerPrintout[2] +variable mL3 equal f_massLayerPrintout[3] +variable mL4 equal f_massLayerPrintout[4] + +compute dY_CO all reduce sum f_dY_cfd5[1] f_dY_cfd5[2] f_dY_cfd5[3] +fix dY_CO_Output all ave/time 1 1 1 c_dY_CO[1] c_dY_CO[2] c_dY_CO[3] +variable dY_CO_1 equal f_dY_CO_Output[1] +variable dY_CO_2 equal f_dY_CO_Output[2] +variable dY_CO_3 equal f_dY_CO_Output[3] + +compute dY_H2 all reduce sum f_dY_cfd6[1] f_dY_cfd6[2] f_dY_cfd6[3] +fix dY_H2_Output all ave/time 1 1 1 c_dY_H2[1] c_dY_H2[2] c_dY_H2[3] +variable dY_H2_1 equal f_dY_H2_Output[1] +variable dY_H2_2 equal f_dY_H2_Output[2] +variable dY_H2_3 equal f_dY_H2_Output[3] + +compute xA_CO all reduce sum f_X_CO +fix molarFractionA_CO all ave/time 1 1 1 c_xA_CO +variable xA_CO_1 equal f_molarFractionA_CO + +compute xA_H2 all reduce sum f_X_H2 +fix molarFractionA_H2 all ave/time 1 1 1 c_xA_H2 +variable xA_H2_1 equal f_molarFractionA_H2 + +compute xC_CO2 all reduce sum f_X_CO2 +fix molarFractionC_CO2 all ave/time 1 1 1 c_xC_CO2 +variable xC_CO2_1 equal f_molarFractionC_CO2 + +compute xC_H2O all reduce sum f_X_H2O +fix molarFractionC_H2O all ave/time 1 1 1 c_xC_H2O +variable xC_H2O_1 equal f_molarFractionC_H2O + +fix printMassLayer all print ${WI} "${time} ${mL1} ${mL2} ${mL3} ${mL4}" file MassLayers.dat title "#time mL_Fe mL_w mL_m mL_h" + +fix printdmYLayer all print ${WI} "${time} ${dY_CO_1} ${dY_CO_2} ${dY_CO_3} ${dY_H2_1} ${dY_H2_2} ${dY_H2_3}" file dmY.dat title "#time dY_CO_1 dY_CO_2 dY_CO_3 dY_H2_1 dY_H2_2 dY_H2_3" + +fix molarFractions all print ${WI} "${time} ${xA_CO_1} ${xA_H2_1} ${xC_CO2_1} ${xC_H2O_1}" file molarFractions.dat title "#title x_CO x_H2 x_CO2 x_H2O" + +############### + +compute effDiffBinary_red_CO all reduce sum f_effDiffBinary_cfd5[1] f_effDiffBinary_cfd5[2] f_effDiffBinary_cfd5[3] +fix effDiffBinary1 all ave/time 10 1 10 c_effDiffBinary_red_CO[1] c_effDiffBinary_red_CO[2] c_effDiffBinary_red_CO[3] +variable dij_CO_1 equal f_effDiffBinary1[1] +variable dij_CO_2 equal f_effDiffBinary1[2] +variable dij_CO_3 equal f_effDiffBinary1[3] + +compute effDiffBinary_red_H2 all reduce sum f_effDiffBinary_cfd6[1] f_effDiffBinary_cfd6[2] f_effDiffBinary_cfd6[3] +fix effDiffBinary2 all ave/time 10 1 10 c_effDiffBinary_red_H2[1] c_effDiffBinary_red_H2[2] c_effDiffBinary_red_H2[3] +variable dij_H2_1 equal f_effDiffBinary2[1] +variable dij_H2_2 equal f_effDiffBinary2[2] +variable dij_H2_3 equal f_effDiffBinary2[3] + +compute effDiffKnud_red_CO all reduce sum f_effDiffKnud_cfd5[1] f_effDiffKnud_cfd5[2] f_effDiffKnud_cfd5[3] +fix effDiffKnud1 all ave/time 10 1 10 c_effDiffKnud_red_CO[1] c_effDiffKnud_red_CO[2] c_effDiffKnud_red_CO[3] +variable dik_CO_1 equal f_effDiffKnud1[1] +variable dik_CO_2 equal f_effDiffKnud1[2] +variable dik_CO_3 equal f_effDiffKnud1[3] + +compute effDiffKnud_red_H2 all reduce sum f_effDiffKnud_cfd6[1] f_effDiffKnud_cfd6[2] f_effDiffKnud_cfd6[3] +fix effDiffKnud2 all ave/time 10 1 10 c_effDiffKnud_red_H2[1] c_effDiffKnud_red_H2[2] c_effDiffKnud_red_H2[3] +variable dik_H2_1 equal f_effDiffKnud2[1] +variable dik_H2_2 equal f_effDiffKnud2[2] +variable dik_H2_3 equal f_effDiffKnud2[3] + +fix printDiffTerms all print ${WI} "${time} ${dij_CO_1} ${dij_CO_2} ${dij_CO_3} ${dij_H2_1} ${dij_H2_2} ${dij_H2_3} ${dik_CO_1} ${dik_CO_2} ${dik_CO_3} ${dik_H2_1} ${dik_H2_2} ${dik_H2_3} " file DiffTerm.dat title "#time dij_CO_1 dij_CO_2 dij_CO_3 dij_H2_1 dij_H2_2 dij_H2_3 dik_CO_1 dik_CO_2 dik_CO_3 dik_H2_1 dik_H2_2 dik_H2_3" + +############### + +## Check Layer Radii and Write them to files ### +compute layerRad1 all reduce sum f_LayerRelRadii[1] +fix redRad1 all ave/time 1 1 1 c_layerRad1 +variable rr1 equal f_redRad1 + +compute layerRad2 all reduce sum f_LayerRelRadii[2] +fix redRad2 all ave/time 1 1 1 c_layerRad2 +variable rr2 equal f_redRad2 + +compute layerRad3 all reduce sum f_LayerRelRadii[3] +fix redRad3 all ave/time 1 1 1 c_layerRad3 +variable rr3 equal f_redRad3 + +compute layerRad4 all reduce sum f_LayerRelRadii[4] +fix redRad4 all ave/time 1 1 1 c_layerRad4 +variable rr4 equal f_redRad4 + +fix printRelRadii all print ${WI} "${time} ${rr1} ${rr2} ${rr3} ${rr4}" file relRadii.dat title "#time relRad_1 relRad_2 relRad_3 relRad_4" + +############### +# screen output +compute rke all erotate/sphere +thermo_style custom step atoms ke c_rke vol +thermo 10 +thermo_modify lost ignore norm no +compute_modify thermo_temp dynamic yes + +dump dmp all custom ${WI} ../DEM/post/dump*.liggghts_run id type x y z vx vy vz fx fy fz radius mass f_fracRed[1] f_fracRed[2] f_fracRed[3] +run 1 diff --git a/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/parCFDDEMrun.sh b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/parCFDDEMrun.sh new file mode 100755 index 00000000..aeee36fd --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/parCFDDEMrun.sh @@ -0,0 +1,96 @@ +#!/bin/bash + +#===================================================================# +# allrun script for testcase as part of test routine +# run settlingTest CFD part +# Christoph Goniva - Feb. 2011 +#===================================================================# + +#- source CFDEM env vars +. ~/.bashrc + +#- include functions +source $CFDEM_PROJECT_DIR/etc/functions.sh + +#--------------------------------------------------------------------------------# +#- define variables +casePath="$(dirname "$(readlink -f ${BASH_SOURCE[0]})")" +logpath=$casePath +headerText="R2_FluidBed" +logfileName="log_$headerText" +solverName="cfdemSolverRhoPimpleChem" #"cfdemSolverPiso" # +nrProcs="8" +machineFileName="none" # yourMachinefileName | none +debugMode="off" # on | off| strict +testHarnessPath="$CFDEM_TEST_HARNESS_PATH" +runOctave="false" +postproc="false" + +#--------------------------------------------------------------------------------# + +#- call function to run a parallel CFD-DEM case +parCFDDEMrun $logpath $logfileName $casePath $headerText $solverName $nrProcs $machineFileName $debugMode + + +if [ $runOctave == "true" ] + then + #------------------------------# + # octave + + #- change path + cd octave + + #- rmove old graph + rm cfdemSolverPiso_ErgunTestMPI.eps + + #- run octave + octave totalPressureDrop.m + + #- show plot + evince cfdemSolverPiso_ErgunTestMPI.eps + + #- copy log file to test harness + cp ../../$logfileName $testHarnessPath + cp cfdemSolverPiso_ErgunTestMPI.eps $testHarnessPath +fi + +if [ $postproc == "true" ] + then + + #- keep terminal open (if started in new terminal) + echo "simulation finished? ...press enter to proceed" + read + + #- get VTK data from liggghts dump file + cd $casePath/DEM/post + python -i $CFDEM_LPP_DIR/lpp.py dump*.liggghts_run + + #- get VTK data from CFD sim + cd $casePath/CFD + reconstructPar + foamToVTK #- serial run of foamToVTK + #source $CFDEM_SRC_DIR/lagrangian/cfdemParticle/etc/functions.sh #- include functions + #pseudoParallelRun "foamToVTK" $nrPostProcProcessors #- pseudo parallel run of foamToVTK + + #- start paraview + paraview + + #- keep terminal open (if started in new terminal) + echo "...press enter to clean up case" + echo "press Ctr+C to keep data" + read + +fi + +#- clean up case +#echo "deleting data at: $casePath :\n" +#source $WM_PROJECT_DIR/bin/tools/CleanFunctions +#cd $casePath/CFD +#cleanCase +#rm -r $casePath/CFD/clockData +#rm $casePath/DEM/post/*.* +#touch $casePath/DEM/post/.gitignore +#rm $casePath/DEM/post/restart/*.* +#rm $casePath/DEM/post/restart/liggghts.restartCFDEM* +#touch $casePath/DEM/post/restart/.gitignore +#echo "done" diff --git a/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/parDEMrun.sh b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/parDEMrun.sh new file mode 100755 index 00000000..2841da36 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/parDEMrun.sh @@ -0,0 +1,30 @@ +#!/bin/bash + +#===================================================================# +# DEMrun script for ErgunTestMPI testcase +# init ErgunTestMPI +# Christoph Goniva - July 2014 +#===================================================================# + +#- source CFDEM env vars +. ~/.bashrc + +#- include functions +source $CFDEM_PROJECT_DIR/etc/functions.sh + +echo "starting DEM run in parallel..." +#--------------------------------------------------------------------------------# +#- define variables +casePath="$(dirname "$(readlink -f ${BASH_SOURCE[0]})")" +logpath="$casePath" +headerText="run_liggghts_init_DEM" +logfileName="log_$headerText" +solverName="in.liggghts_init" +nrProcs=8 +machineFileName="none" +debugMode="off" +#--------------------------------------------------------------------------------# + +#- call function to run DEM case +parDEMrun $logpath $logfileName $casePath $headerText $solverName $nrProcs $machineFileName $debugMode + diff --git a/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/postrun.sh b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/postrun.sh new file mode 100755 index 00000000..06624406 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/postrun.sh @@ -0,0 +1,19 @@ +#!/bin/bash +#- source CFDEM env vars +. ~/.bashrc + +#- include functions +source $CFDEM_PROJECT_DIR/etc/functions.sh + +casePath="$(dirname "$(readlink -f ${BASH_SOURCE[0]})")" + +#- get VTK data from liggghts dump file +cd $casePath/DEM/post +python -i $CFDEM_LPP_DIR/lpp.py dump*.liggghts_run + +#- get VTK data from CFD sim +cd $casePath/CFD +reconstructPar +foamToVTK + + diff --git a/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/prerun.sh b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/prerun.sh new file mode 100755 index 00000000..7b370ae7 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/prerun.sh @@ -0,0 +1,13 @@ +#!/bin/bash + +#- define variables +casePath="$(dirname "$(readlink -f ${BASH_SOURCE[0]})")" + +# check if mesh was built +if [ -f "$casePath/CFD/constant/polyMesh/boundary" ]; then + echo "mesh was built before - using old mesh" +else + echo "mesh needs to be built" + cd $casePath/CFD + blockMesh +fi \ No newline at end of file diff --git a/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/run.config b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/run.config new file mode 100644 index 00000000..032fedbb --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/run.config @@ -0,0 +1,19 @@ +{ + "type" : "CFDEMcoupling", + "runs" : [ + { + "name" : "liggghts-init", + "input_script" : "DEM/in.liggghts_init", + "type" : "liggghts/serial" + }, + { + "name" : "cfdemrun", + "depends_on" : "liggghts-init", + "solver" : "cfdemSolverPiso", + "type" : "CFDEMcoupling/mpi", + "nprocs" : 4, + "pre_scripts" : ["prerun.sh"], + "post_scripts" : ["postrun.sh"] + } + ] +} From 4531711ed8b9c25c2686e31c76bb02fbe080ecf9 Mon Sep 17 00:00:00 2001 From: Daniel Queteschiner Date: Wed, 18 Sep 2019 21:06:16 +0200 Subject: [PATCH 67/92] clean up whitespaces --- .../30CO6H2_Hematite/CFD/0/CO | 6 +- .../30CO6H2_Hematite/CFD/0/CO2 | 6 +- .../30CO6H2_Hematite/CFD/0/H2 | 6 +- .../30CO6H2_Hematite/CFD/0/H2O | 4 +- .../30CO6H2_Hematite/CFD/0/N2 | 2 +- .../30CO6H2_Hematite/CFD/0/T | 2 +- .../30CO6H2_Hematite/CFD/0/U | 6 +- .../30CO6H2_Hematite/CFD/0/p | 2 +- .../30CO6H2_Hematite/CFD/0/p.org | 2 +- .../30CO6H2_Hematite/CFD/0/rho | 2 +- .../30CO6H2_Hematite/CFD/0/voidfraction | 2 +- .../CFD/constant/combustionProperties | 4 +- .../CFD/constant/couplingProperties | 35 ++++--- .../CFD/constant/thermophysicalProperties | 12 +-- .../CFD/constant/transportProperties | 8 +- .../30CO6H2_Hematite/CFD/system/controlDict | 89 +++++++++--------- .../30CO6H2_Hematite/CFD/system/fvOptions | 3 +- .../30CO6H2_Hematite/CFD/system/fvSchemes | 34 +++---- .../30CO6H2_Hematite/CFD/system/fvSolution | 40 ++++---- .../30CO6H2_Hematite/CFD/system/probesDict | 6 +- .../30CO6H2_Hematite/DEM/in.liggghts_run | 93 ++++++++++--------- 21 files changed, 182 insertions(+), 182 deletions(-) diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/CO b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/CO index c6559c7a..190dc9d9 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/CO +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/CO @@ -38,13 +38,13 @@ boundaryField inlet { - type fixedValue; - value uniform 0.3101580355; + type fixedValue; + value uniform 0.3101580355; } outlet { - type zeroGradient; + type zeroGradient; } } diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/CO2 b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/CO2 index 409488df..18d9e015 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/CO2 +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/CO2 @@ -38,13 +38,13 @@ boundaryField inlet { - type fixedValue; - value uniform 0.0649770565; + type fixedValue; + value uniform 0.0649770565; } outlet { - type zeroGradient; + type zeroGradient; } } diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/H2 b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/H2 index fdb19b54..117ad937 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/H2 +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/H2 @@ -38,13 +38,13 @@ boundaryField inlet { - type fixedValue; - value uniform 0.0044735397; + type fixedValue; + value uniform 0.0044735397; } outlet { - type zeroGradient; + type zeroGradient; } } diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/H2O b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/H2O index ca8df421..d05b03b2 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/H2O +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/H2O @@ -38,12 +38,12 @@ boundaryField inlet { - type zeroGradient; + type zeroGradient; } outlet { - type zeroGradient; + type zeroGradient; } } diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/N2 b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/N2 index 0c813655..a590dca2 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/N2 +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/N2 @@ -39,7 +39,7 @@ boundaryField inlet { type fixedValue; - value uniform 0.6203913683; + value uniform 0.6203913683; } outlet diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/T b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/T index 02b5cb3b..5f10e721 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/T +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/T @@ -39,7 +39,7 @@ boundaryField inlet { type fixedValue; - value uniform 1223.15; + value uniform 1223.15; } outlet diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/U b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/U index 047777bd..f50a655f 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/U +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/U @@ -23,15 +23,15 @@ boundaryField { top { - type zeroGradient; + type zeroGradient; } bottom { - type zeroGradient; + type zeroGradient; } side-walls { - type zeroGradient; + type zeroGradient; } inlet { diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/p b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/p index 4af5d3be..e2d368fc 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/p +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/p @@ -17,7 +17,7 @@ FoamFile dimensions [1 -1 -2 0 0 0 0]; -internalField uniform 101325; +internalField uniform 101325; boundaryField { diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/p.org b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/p.org index af41df32..3c63a681 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/p.org +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/p.org @@ -17,7 +17,7 @@ FoamFile dimensions [1 -1 -2 0 0 0 0]; -internalField uniform 101325; +internalField uniform 101325; boundaryField { diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/rho b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/rho index dafa6a48..f72d4948 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/rho +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/rho @@ -16,7 +16,7 @@ FoamFile dimensions [1 -3 0 0 0 0 0]; -internalField uniform 1.2415; // [for 33CO 3H2 4CO2 60N2]; +internalField uniform 1.2415; // [for 33CO 3H2 4CO2 60N2]; boundaryField { diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/voidfraction b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/voidfraction index 3126fb49..6f3a5b0b 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/voidfraction +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/voidfraction @@ -39,7 +39,7 @@ boundaryField inlet { type fixedValue; - value $internalField; + value $internalField; } outlet diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/combustionProperties b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/combustionProperties index 487421c2..2f51801a 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/combustionProperties +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/combustionProperties @@ -15,12 +15,12 @@ FoamFile } // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // -combustionModel noCombustion; //PaSR; //PaSR; +combustionModel noCombustion; active false; //true; noCombustionCoeffs -{ +{ } diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/couplingProperties b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/couplingProperties index b3ae8975..27a42f75 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/couplingProperties +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/couplingProperties @@ -32,7 +32,7 @@ couplingInterval 50; voidFractionModel divided;//centre;// -locateModel engine; //turboEngineM2M;// +locateModel engine;//turboEngineM2M;// meshMotionModel noMeshMotion; @@ -46,9 +46,9 @@ dataExchangeModel twoWayMPI;//twoWayM2M;//twoWayFiles;//oneWayVTK;// averagingModel dilute; //dense;//// -clockModel off;//standardClock;//off; +clockModel off;//standardClock; -smoothingModel off;// localPSizeDiffSmoothing;// constDiffSmoothing; // +smoothingModel off;//localPSizeDiffSmoothing;// constDiffSmoothing; // forceModels ( @@ -59,13 +59,13 @@ forceModels energyModels ( - heatTransferGunn - reactionHeat + heatTransferGunn + reactionHeat ); -thermCondModel SyamlalThermCond; +thermCondModel SyamlalThermCond; -chemistryModels +chemistryModels ( species diffusionCoefficients @@ -85,7 +85,7 @@ turbulenceModelType "turbulenceProperties";//"LESProperties";// reactionHeatProps { reactionHeatName "reactionHeat"; - verbose false; + verbose false; } heatTransferGunnProps @@ -119,8 +119,8 @@ diffusionCoefficientsProps massTransferCoeffProps { - verbose false; - interpolation false; + verbose false; + interpolation false; } reactantPerParticleProps @@ -130,8 +130,8 @@ reactantPerParticleProps SyamlalThermCondProps { - voidfractionFieldName "voidfraction"; - rhoFieldName "rho"; + voidfractionFieldName "voidfraction"; + rhoFieldName "rho"; } LaEuScalarTempProps @@ -150,7 +150,7 @@ localPSizeDiffSmoothingProps lowerLimit 0.1; upperLimit 1e10; dSmoothingLength 1.5e-3; - Csmoothing 1.0; + Csmoothing 1.0; } constDiffSmoothingProps @@ -214,11 +214,8 @@ GidaspowDragProps velFieldName "U"; granVelFieldName "Us"; voidfractionFieldName "voidfraction"; - interpolation true; //interpolation is on + interpolation true; phi 1; - //implForceDEM true; - //implForceDEMaccumulated true; - //explicitCorr true; } BeetstraDragProps @@ -228,8 +225,8 @@ BeetstraDragProps gravityFieldName "g"; voidfractionFieldName "voidfraction"; interpolation false; - useFilteredDragModel ; - useParcelSizeDependentFilteredDrag ; + useFilteredDragModel; + useParcelSizeDependentFilteredDrag; rhoP 4630.; dPrim 0.00022; rho 1.58; diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/thermophysicalProperties b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/thermophysicalProperties index 7f498e00..3208f9d2 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/thermophysicalProperties +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/thermophysicalProperties @@ -17,12 +17,12 @@ FoamFile thermoType { - type heRhoThermo; //hePsiThermo; // + type heRhoThermo; mixture reactingMixture; //species and reactions are listed in chemistry file - transport const; //sutherland; //calcualtes viscosity as a function of temperature from Stuherland coefficient As and Ts - thermo hConst; //janaf; - equationOfState perfectGas; - energy sensibleInternalEnergy; //sensibleEnthalpy; //uses enthaly in the solution + transport const; //sutherland; //calcualtes viscosity as a function of temperature from Stuherland coefficient As and Ts + thermo hConst; //janaf; + equationOfState perfectGas; + energy sensibleInternalEnergy; specie specie; } @@ -32,6 +32,6 @@ foamChemistryThermoFile "$casePath/CFD/constant/foam.dat"; foamChemistryFile "$casePath/CFD/constant/foam.inp"; -inertSpecie N2; +inertSpecie N2; // ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/transportProperties b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/transportProperties index 66bf1c22..202ac451 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/transportProperties +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/transportProperties @@ -17,15 +17,15 @@ FoamFile transportModel Newtonian; -nu nu [ 0 2 -1 0 0 0 0 ] 1.4117e-05; // kinematic viscosity of gas mixture +nu nu [ 0 2 -1 0 0 0 0 ] 1.4117e-05; // kinematic viscosity of gas mixture -kf kf [ 1 1 -3 -1 0 0 0 ] 0.0507; // comes from energy model +kf kf [ 1 1 -3 -1 0 0 0 ] 0.0507; // comes from energy model -Cp Cp [ 0 2 -2 -1 0 0 0 ] 1118.15; // comes from energy model +Cp Cp [ 0 2 -2 -1 0 0 0 ] 1118.15; // comes from energy model // ******* Non-Newtonian transport properties ************************ // -/*CrossPowerLawCoeffs +/*CrossPowerLawCoeffs { nu0 nu0 [ 0 2 -1 0 0 0 0 ] 1e-06; nuInf nuInf [ 0 2 -1 0 0 0 0 ] 1e-06; diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/system/controlDict b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/system/controlDict index 128cc774..746a7dee 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/system/controlDict +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/system/controlDict @@ -53,62 +53,65 @@ maxDeltaT 0.1; // ************************************************************************* // - libs ( - "libfieldFunctionObjects.so" - ); + libs +( + "libfieldFunctionObjects.so" +); functions { moleFrac { - type rhoReactionThermoMoleFractions; - } - + type rhoReactionThermoMoleFractions; + } + probes1 { - type probes; + type probes; + functionObjectLibs ("libsampling.so"); - #include "probesDict"; + + #include "probesDict"; } fieldMinMax_T { - type fieldMinMax; - libs ("libfieldFunctionObjects.so"); - fields (T); - // Report the location of the field extrema - location yes; - // Type of extrema for rank > 0 primitives - mode magnitude; // magnitude | component - } - - fieldMinMax_Cpv - { - type fieldMinMax; - libs ("libfieldFunctionObjects.so"); - fields (Cpv); - // Report the location of the field extrema - location yes; - // Type of extrema for rank > 0 primitives - mode magnitude; // magnitude | component - } - - fieldMinMax_partTemp - { - type fieldMinMax; - libs ("libfieldFunctionObjects.so"); - fields (partTemp); - location yes; - mode magnitude; + type fieldMinMax; + libs ("libfieldFunctionObjects.so"); + fields (T); + // Report the location of the field extrema + location yes; + // Type of extrema for rank > 0 primitives + mode magnitude; // magnitude | component } + fieldMinMax_Cpv + { + type fieldMinMax; + libs ("libfieldFunctionObjects.so"); + fields (Cpv); + // Report the location of the field extrema + location yes; + // Type of extrema for rank > 0 primitives + mode magnitude; // magnitude | component + } + + fieldMinMax_partTemp + { + type fieldMinMax; + libs ("libfieldFunctionObjects.so"); + fields (partTemp); + location yes; + mode magnitude; + } + globalMassFrac - { + { type volRegion; libs ("libfieldFunctionObjects.so"); - writeControl timeStep;//outputTime; - writeInterval 1; + writeControl timeStep;//outputTime; + writeInterval 1; log true; writeFields false; regionType all; @@ -122,14 +125,14 @@ functions CO N2 H2O - ); - } + ); + } globalMass - { + { type volRegion; libs ("libfieldFunctionObjects.so"); - writeControl timeStep;//outputTime; + writeControl timeStep;//outputTime; writeInterval 1; log true; writeFields false; @@ -142,6 +145,6 @@ functions rho ); } -} +} // ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/system/fvOptions b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/system/fvOptions index 9536c869..d021b03e 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/system/fvOptions +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/system/fvOptions @@ -25,6 +25,5 @@ limitedTemperature Tmin 1200; Tmax 2500; } -} - +} diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/system/fvSchemes b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/system/fvSchemes index a819f794..1137d70b 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/system/fvSchemes +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/system/fvSchemes @@ -25,36 +25,36 @@ gradSchemes default Gauss linear; grad(p) cellMDLimited leastSquares 0.5; grad(U) cellMDLimited leastSquares 0.5; //cellLimited Gauss linear 1; // - grad(h) cellMDLimited leastSquares 0.5; - grad(e) cellMDLimited leastSquares 0.5; + grad(h) cellMDLimited leastSquares 0.5; + grad(e) cellMDLimited leastSquares 0.5; } divSchemes { default Gauss linear; - div(phi,U) Gauss limitedLinear 1; //Gauss linear; //Gauss limitedLinear 1; // //Gauss limitedLinearV 1; // - div(phid,p) Gauss limitedLinear 1; //Gauss upwind; //Gauss limitedLinearV 1; - div(phi,K) Gauss limitedLinear 1; - div(phi,h) Gauss limitedLinear 1; //Gauss upwind; - div(phi,k) Gauss limitedLinear 1; //Gauss upwind; - div(phi,epsilon) Gauss limitedLinear 1; //Gauss upwind; + div(phi,U) Gauss limitedLinear 1; //Gauss linear; + div(phid,p) Gauss limitedLinear 1; //Gauss upwind; + div(phi,K) Gauss limitedLinear 1; + div(phi,h) Gauss limitedLinear 1; //Gauss upwind; + div(phi,k) Gauss limitedLinear 1; //Gauss upwind; + div(phi,epsilon) Gauss limitedLinear 1; //Gauss upwind; div(U) Gauss limitedLinear 1; - div(phi,Yi_h) Gauss multivariateSelection - { - CO limitedLinear01 1; - H2 limitedLinear01 1; - N2 limitedLinear01 1; - H2O limitedLinear01 1; + div(phi,Yi_h) Gauss multivariateSelection + { + CO limitedLinear01 1; + H2 limitedLinear01 1; + N2 limitedLinear01 1; + H2O limitedLinear01 1; CO2 limitedLinear01 1; - h limitedLinear 1; + h limitedLinear 1; e limitedLinear 1; - } + } // div((muEff*dev2(T(grad(U))))) Gauss linear; div((viscousTerm*dev2(grad(U).T()))) Gauss linear; div((thermo:mu*dev(grad(U).T()))) Gauss linear; div((nuEff*dev2(T(grad(U))))) Gauss linear; - div(phi,T) Gauss limitedLinear 1; + div(phi,T) Gauss limitedLinear 1; } laplacianSchemes diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/system/fvSolution b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/system/fvSolution index 9976d4cd..47b89b11 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/system/fvSolution +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/system/fvSolution @@ -22,7 +22,7 @@ solvers preconditioner DIC; tolerance 1e-6; relTol 0.01; - /*solver GAMG; + /*solver GAMG; tolerance 1e-06; relTol 0.01; smoother GaussSeidel; @@ -41,27 +41,27 @@ solvers tolerance 1e-06; relTol 0; } - + "(rho|G)" { solver PCG; preconditioner DIC; tolerance 1e-6; relTol 0.01; - /*solver smoothSolver; - smoother symGaussSeidel; - tolerance 1e-6; - relTol 0.1; - nSweeps 3;*/ + /*solver smoothSolver; + smoother symGaussSeidel; + tolerance 1e-6; + relTol 0.1; + nSweeps 3;*/ } - + "(rho|G)Final" { - $rho; + $rho; tolerance 1e-06; relTol 0; } - + "(U|h|e|R|k|epsilon)" { solver smoothSolver; @@ -76,14 +76,14 @@ solvers tolerance 1e-05; relTol 0; } - + "(Yi|CO|CO2|H2|H2O|N2)" { solver smoothSolver; smoother symGaussSeidel; tolerance 1e-06; relTol 0.01; - maxIter 100; + maxIter 100; } "(Yi|CO|CO2|H2|H2O|N2)Final" @@ -91,9 +91,9 @@ solvers $Yi; tolerance 1e-06; relTol 0; - maxIter 100; + maxIter 100; } - + T { solver PBiCG; @@ -109,22 +109,22 @@ PIMPLE nOuterCorrectors 5; nCorrectors 2; nNonOrthogonalCorrectors 0; - rhoMin rhoMin [ 1 -3 0 0 0 ] 0.4; - rhoMax rhoMax [ 1 -3 0 0 0 ] 2.0; + rhoMin rhoMin [ 1 -3 0 0 0 ] 0.4; + rhoMax rhoMax [ 1 -3 0 0 0 ] 2.0; } relaxationFactors { fields { - T 0.5; - "(Yi|CO|CO2|H2|H2O|N2)" 0.6; - p 0.6; + T 0.5; + "(Yi|CO|CO2|H2|H2O|N2)" 0.6; + p 0.6; } equations { ".*" 0.8; - "(h|e).*" 0.5; + "(h|e).*" 0.5; } } diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/system/probesDict b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/system/probesDict index 71cf7611..2fbb1410 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/system/probesDict +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/system/probesDict @@ -46,9 +46,9 @@ writeInterval 50; // Locations to be probed. probeLocations ( - (7.0 2.5 2.5) - (8.0 2.5 2.5) - (1.0 2.5 2.5) + (7.0 2.5 2.5) + (8.0 2.5 2.5) + (1.0 2.5 2.5) ); // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/DEM/in.liggghts_run b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/DEM/in.liggghts_run index c5a4fc86..9ea6fff7 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/DEM/in.liggghts_run +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/DEM/in.liggghts_run @@ -1,4 +1,4 @@ -# Pour granular particles into chute container, then induce flow +# single particle chemistry test case log ../DEM/log.liggghts thermo_log ../DEM/post/thermo.txt @@ -42,8 +42,8 @@ fix zwalls1 all wall/gran model hertz tangential history primitive type 1 zp fix zwalls2 all wall/gran model hertz tangential history primitive type 1 zplane 0.5 # Thermal properties -fix ftco all property/global thermalConductivity peratomtype 1.4 -fix ftca all property/global thermalCapacity peratomtype 3000 +fix ftco all property/global thermalConductivity peratomtype 1.4 +fix ftca all property/global thermalCapacity peratomtype 3000 ############################################### @@ -52,7 +52,7 @@ fix cfd all couple/cfd couple_every 50 mpi fix cfd2 all couple/cfd/force # this one invokes heat transfer calculation, transfers per-particle temperature and adds convective heat flux to particles -fix tconv all couple/cfd/convection T0 1221 +fix tconv all couple/cfd/convection T0 1221 # this should invoke chemistry fix cfd3 all couple/cfd/chemistry n_species 5 species_names H2 H2O CO CO2 N2 n_diff 2 diffusant_names CO H2 @@ -65,31 +65,31 @@ fix cfd6 all chem/shrink/core speciesA H2 molMassA 0.00202 speciesC H2O molM fix k0_CO all property/atom k0_cfd5 vector yes no no 17 25 2700 fix Ea_CO all property/atom Ea_cfd5 vector yes no no 69488 73674 113859 -fix k0_H2 all property/atom k0_cfd6 vector yes no no 30 23 160 -fix Ea_H2 all property/atom Ea_cfd6 vector yes no no 63627 71162 92092 +fix k0_H2 all property/atom k0_cfd6 vector yes no no 30 23 160 +fix Ea_H2 all property/atom Ea_cfd6 vector yes no no 63627 71162 92092 # particle porosity/tortuosity/pore diameter -fix porosity all property/atom porosity_ vector yes no no 0.65 0.31 0.16 0.15 -fix tortuosity all property/global tortuosity_ scalar 3 -fix pore_diameter all property/global pore_diameter_ scalar 7e-7 +fix porosity all property/atom porosity_ vector yes no no 0.65 0.31 0.16 0.15 +fix tortuosity all property/global tortuosity_ scalar 3 +fix pore_diameter all property/global pore_diameter_ scalar 7e-7 # define layer properties fix LayerRelRadii all property/atom relRadii vector yes no no 1.0 0.998 0.995 0.98 -### define fix for mass layer - initial testing -fix LayerMasses all property/atom massLayer vector yes no no 0. 0. 0. 0. -fix LayerDennsities all property/global density_all vector 7870. 5740. 5170. 5240. +# define fix for mass layer - initial testing +fix LayerMasses all property/atom massLayer vector yes no no 0. 0. 0. 0. +fix LayerDennsities all property/global density_all vector 7870. 5740. 5170. 5240. -## define fix for rho_eff and fracRed - initialize as zero -fix fracRed all property/atom fracRed_all vector yes no no 0. 0. 0. -fix rhoeff all property/atom rhoeff vector yes no no 0. 0. 0. 0. +# define fix for rho_eff and fracRed - initialize as zero +fix fracRed all property/atom fracRed_all vector yes no no 0. 0. 0. +fix rhoeff all property/atom rhoeff vector yes no no 0. 0. 0. 0. ############### # Write data into files for post-processing -variable WI equal 10 +variable WI equal 10 variable time equal time -variable m1 equal mass[1] +variable m1 equal mass[1] variable rp equal radius[1] variable rho1 equal mass[1]/((4/3)*PI*radius[1]*radius[1]*radius[1]) fix printmass all print ${WI} "${time} ${m1} ${rho1} ${rp}" file mass_rho_rad.txt title "#time mass rho rad_par" @@ -99,79 +99,79 @@ compute KinEn all ke variable ke_tot equal c_KinEn # print total kinetic energy -fix printCompute all print ${WI} "${time} ${ke_tot}" file printKE.txt title "#time ke_tot" +fix printCompute all print ${WI} "${time} ${ke_tot}" file printKE.txt title "#time ke_tot" compute Ea_CO all reduce sum f_Ea_CO[1] f_Ea_CO[2] f_Ea_CO[3] -fix Ea all ave/time 1 1 1 c_Ea_CO[1] c_Ea_CO[2] c_Ea_CO[3] -variable Ea1 equal f_Ea[1] -variable Ea2 equal f_Ea[2] -variable Ea3 equal f_Ea[3] +fix Ea all ave/time 1 1 1 c_Ea_CO[1] c_Ea_CO[2] c_Ea_CO[3] +variable Ea1 equal f_Ea[1] +variable Ea2 equal f_Ea[2] +variable Ea3 equal f_Ea[3] compute k0CO all reduce sum f_k0_CO[1] f_k0_CO[2] f_k0_CO[3] -fix k0 all ave/time 1 1 1 c_k0CO[1] c_k0CO[2] c_k0CO[3] +fix k0 all ave/time 1 1 1 c_k0CO[1] c_k0CO[2] c_k0CO[3] variable k01 equal f_k0[1] variable k02 equal f_k0[2] variable k03 equal f_k0[3] -fix printk0Ea all print ${WI} "${time} ${Ea1} ${Ea2} ${Ea3} ${k01} ${k02} ${k03}" file k0Ea.dat title "#time Ea1 Ea2 Ea3 k01 k02 k03" +fix printk0Ea all print ${WI} "${time} ${Ea1} ${Ea2} ${Ea3} ${k01} ${k02} ${k03}" file k0Ea.dat title "#time Ea1 Ea2 Ea3 k01 k02 k03" ############### # Print out values affecting chemical reduction into specified folder for given time # Diffusion Coefficient for CO and H2 compute COdiff all reduce sum f_CO_diffCoeff -fix diffField_CO all ave/time 1 1 1 c_COdiff +fix diffField_CO all ave/time 1 1 1 c_COdiff variable CO_diffCo equal f_diffField_CO -fix printDCoeff all print ${WI} "${time} ${CO_diffCo}" file DiffCoeff.dat title "#time CO_diffCoeff" +fix printDCoeff all print ${WI} "${time} ${CO_diffCo}" file DiffCoeff.dat title "#time CO_diffCoeff" ############### # Specific Resistance terms depending on reacting gases compute ACOd1 all reduce sum f_Aterm_cfd5[1] f_Aterm_cfd5[2] f_Aterm_cfd5[3] -fix ACOd1 all ave/time 1 1 1 c_ACOd1[1] c_ACOd1[2] c_ACOd1[3] +fix ACOd1 all ave/time 1 1 1 c_ACOd1[1] c_ACOd1[2] c_ACOd1[3] variable a_CO_1 equal f_ACOd1[1] variable a_CO_2 equal f_ACOd1[2] variable a_CO_3 equal f_ACOd1[3] compute BCOd1 all reduce sum f_Bterm_cfd5[1] f_Bterm_cfd5[2] f_Bterm_cfd5[3] -fix BCOd1 all ave/time 10 1 10 c_BCOd1[1] c_BCOd1[2] c_BCOd1[3] +fix BCOd1 all ave/time 10 1 10 c_BCOd1[1] c_BCOd1[2] c_BCOd1[3] variable b_CO_1 equal f_BCOd1[1] variable b_CO_2 equal f_BCOd1[2] variable b_CO_3 equal f_BCOd1[3] compute MCOd1 all reduce sum f_Massterm_cfd5 -fix MTCOd1 all ave/time 10 1 10 c_MCOd1 +fix MTCOd1 all ave/time 10 1 10 c_MCOd1 variable mt_CO equal f_MTCOd1 -fix printAterm all print ${WI} "${time} ${a_CO_1} ${a_CO_2} ${a_CO_3}" file Aterm.dat title "#time a_CO_1 aCO_2 a_CO_3" +fix printAterm all print ${WI} "${time} ${a_CO_1} ${a_CO_2} ${a_CO_3}" file Aterm.dat title "#time a_CO_1 aCO_2 a_CO_3" -fix printBterm all print ${WI} "${time} ${b_CO_1} ${b_CO_2} ${b_CO_3}" file Bterm.dat title "#time b_CO_1 b_CO_2 b_CO_3" +fix printBterm all print ${WI} "${time} ${b_CO_1} ${b_CO_2} ${b_CO_3}" file Bterm.dat title "#time b_CO_1 b_CO_2 b_CO_3" -fix printMassTerm all print ${WI} "${time} ${mt_CO}" file MassTerm.dat title "#time mt_CO" +fix printMassTerm all print ${WI} "${time} ${mt_CO}" file MassTerm.dat title "#time mt_CO" # Print out fractional reduction for specific diameter ranges as well as total fractional reduction ############### # print out rate change of mass for gaseous reactant compute dmdot all reduce sum f_dmA_cfd5[1] f_dmA_cfd5[2] f_dmA_cfd5[3] -fix dmA_val all ave/time 1 1 1 c_dmdot[1] c_dmdot[2] c_dmdot[3] +fix dmA_val all ave/time 1 1 1 c_dmdot[1] c_dmdot[2] c_dmdot[3] variable dmdot_1 equal f_dmA_val[1] variable dmdot_2 equal f_dmA_val[2] variable dmdot_3 equal f_dmA_val[3] -fix printdmdot all print ${WI} "${time} ${dmdot_1} ${dmdot_2} ${dmdot_3}" file dmdot.dat title "#time dmdot_1 dmdot_2 dmdot_3" +fix printdmdot all print ${WI} "${time} ${dmdot_1} ${dmdot_2} ${dmdot_3}" file dmdot.dat title "#time dmdot_1 dmdot_2 dmdot_3" compute dmdot_H2 all reduce sum f_dmA_cfd6[1] f_dmA_cfd6[2] f_dmA_cfd6[3] -fix dmA_valH2 all ave/time 1 1 1 c_dmdot_H2[1] c_dmdot_H2[2] c_dmdot_H2[3] +fix dmA_valH2 all ave/time 1 1 1 c_dmdot_H2[1] c_dmdot_H2[2] c_dmdot_H2[3] variable dmdot_H2_1 equal f_dmA_valH2[1] variable dmdot_H2_2 equal f_dmA_valH2[2] variable dmdot_H2_3 equal f_dmA_valH2[3] -fix printdmdotH2 all print ${WI} "${time} ${dmdot_H2_1} ${dmdot_H2_2} ${dmdot_H2_3}" file dmdotH2.dat title "#time dmdot_1 dmdot_2 dmdot_3" +fix printdmdotH2 all print ${WI} "${time} ${dmdot_H2_1} ${dmdot_H2_2} ${dmdot_H2_3}" file dmdotH2.dat title "#time dmdot_1 dmdot_2 dmdot_3" compute fr_1 all reduce sum f_fracRed[1] f_fracRed[2] f_fracRed[3] -fix fr_d1 all ave/time 1 1 1 c_fr_1[1] c_fr_1[2] c_fr_1[3] +fix fr_d1 all ave/time 1 1 1 c_fr_1[1] c_fr_1[2] c_fr_1[3] variable fr_d1_1 equal f_fr_d1[1] variable fr_d1_2 equal f_fr_d1[2] variable fr_d1_3 equal f_fr_d1[3] @@ -179,27 +179,27 @@ variable fr_d1_3 equal f_fr_d1[3] # Calculate total fractional reduction to be written into the dump file for postProcessing/graphical representation variable frOV_d1 equal 1/9*(f_fr_d1[3])+2/9*(f_fr_d1[2])+6/9*(f_fr_d1[1]) -fix printfr1 all print ${WI} "${time} ${fr_d1_1} ${fr_d1_2} ${fr_d1_3} ${frOV_d1}" file fr_d1.dat title "#time fr_d1_1 fr_d1_2 fr_d1_3 fr_overall_d1" +fix printfr1 all print ${WI} "${time} ${fr_d1_1} ${fr_d1_2} ${fr_d1_3} ${frOV_d1}" file fr_d1.dat title "#time fr_d1_1 fr_d1_2 fr_d1_3 fr_overall_d1" ############################################### ## Check Layer Radii and Write them to files ### -compute layerRad1 all reduce sum f_LayerRelRadii[1] -fix redRad1 all ave/time 1 1 1 c_layerRad1 +compute layerRad1 all reduce sum f_LayerRelRadii[1] +fix redRad1 all ave/time 1 1 1 c_layerRad1 variable rr1 equal f_redRad1 compute layerRad2 all reduce sum f_LayerRelRadii[2] -fix redRad2 all ave/time 1 1 1 c_layerRad2 +fix redRad2 all ave/time 1 1 1 c_layerRad2 variable rr2 equal f_redRad2 compute layerRad3 all reduce sum f_LayerRelRadii[3] -fix redRad3 all ave/time 1 1 1 c_layerRad3 +fix redRad3 all ave/time 1 1 1 c_layerRad3 variable rr3 equal f_redRad3 compute layerRad4 all reduce sum f_LayerRelRadii[4] -fix redRad4 all ave/time 1 1 1 c_layerRad4 +fix redRad4 all ave/time 1 1 1 c_layerRad4 variable rr4 equal f_redRad4 -fix printRelRadii all print ${WI} "${time} ${rr1} ${rr2} ${rr3} ${rr4}" file relRadii.dat title "#time relRad_1 relRad_2 relRad_3 relRad_4" +fix printRelRadii all print ${WI} "${time} ${rr1} ${rr2} ${rr3} ${rr4}" file relRadii.dat title "#time relRad_1 relRad_2 relRad_3 relRad_4" ############### # screen output @@ -209,5 +209,6 @@ thermo 10 thermo_modify lost ignore norm no compute_modify thermo_temp dynamic yes -dump dmp all custom 100 ../DEM/post/dump*.liggghts_run id type x y z vx vy vz fx fy fz radius mass f_fracRed[1] f_fracRed[2] f_fracRed[3] -run 1 +dump dmp all custom 100 ../DEM/post/dump*.liggghts_run id type x y z vx vy vz fx fy fz radius mass f_fracRed[1] f_fracRed[2] f_fracRed[3] + +run 1 From 5d0ec35256472bca119baf799b9fcd9f8794f053 Mon Sep 17 00:00:00 2001 From: Daniel Queteschiner Date: Wed, 18 Sep 2019 21:10:13 +0200 Subject: [PATCH 68/92] fix testharness run.config --- .../SingleParticleCases/30CO6H2_Hematite/run.config | 5 +++-- 1 file changed, 3 insertions(+), 2 deletions(-) diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/run.config b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/run.config index 9091b486..17e0cac4 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/run.config +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/run.config @@ -4,12 +4,13 @@ { "name" : "liggghts-init", "input_script" : "DEM/in.liggghts_init", - "type" : "liggghts/serial" + "type" : "liggghts/mpi", + "nprocs" : 2 }, { "name" : "cfdemrun", "depends_on" : "liggghts-init", - "solver" : "cfdemSolverPiso", + "solver" : "cfdemSolverRhoPimpleChem", "type" : "CFDEMcoupling/mpi", "nprocs" : 2, "pre_scripts" : ["prerun.sh"], From ad34ba0efead563108791c30f952eb69241001c2 Mon Sep 17 00:00:00 2001 From: Daniel Queteschiner Date: Wed, 18 Sep 2019 21:15:31 +0200 Subject: [PATCH 69/92] clean up some tutorial files [ci skip] --- .../SingleParticleCases/30CO6H2_Hematite/Allrun.sh | 5 ++--- .../SingleParticleCases/30CO6H2_Hematite/parCFDDEMrun.sh | 5 ++--- .../SingleParticleCases/30CO6H2_Hematite/parDEMrun.sh | 5 ++--- 3 files changed, 6 insertions(+), 9 deletions(-) diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/Allrun.sh b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/Allrun.sh index 5c5cfbbc..0f5569b2 100755 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/Allrun.sh +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/Allrun.sh @@ -1,9 +1,8 @@ #!/bin/bash #===================================================================# -# allrun script for testcase as part of test routine -# run settlingTest -# Christoph Goniva - Sept. 2010 +# allrun script for testcase +# M. Efe Kinaci - Sep 2018 #===================================================================# #- source CFDEM env vars diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/parCFDDEMrun.sh b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/parCFDDEMrun.sh index 23dd0006..cfa62fe8 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/parCFDDEMrun.sh +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/parCFDDEMrun.sh @@ -1,9 +1,8 @@ #!/bin/bash #===================================================================# -# allrun script for testcase as part of test routine -# run settlingTest CFD part -# Christoph Goniva - Feb. 2011 +# allrun script for single particle testcase +# M. Efe Kinaci - Sep 2018 #===================================================================# #- source CFDEM env vars diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/parDEMrun.sh b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/parDEMrun.sh index 3b9653f8..c580f12e 100755 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/parDEMrun.sh +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/parDEMrun.sh @@ -1,9 +1,8 @@ #!/bin/bash #===================================================================# -# DEMrun script for ErgunTestMPI testcase -# init ErgunTestMPI -# Christoph Goniva - July 2014 +# DEMrun script for testcase +# M. Efe Kinaci - Sep 2018 #===================================================================# #- source CFDEM env vars From 6b1c2d76f1ba496b7ce0052cdff334cd3e7c8364 Mon Sep 17 00:00:00 2001 From: Daniel Queteschiner Date: Thu, 19 Sep 2019 09:09:12 +0200 Subject: [PATCH 70/92] add .sh file extension to Allclean scripts --- .../PolydisperseFluidizedBed/R2_FB/{Allclean => Allclean.sh} | 0 .../30CO6H2_Hematite/{Allclean => Allclean.sh} | 0 .../33CO3H2_Hematite/{Allclean => Allclean.sh} | 0 .../SingleParticleCases/GOD0k1_Hematite/{Allclean => Allclean.sh} | 0 .../SingleParticleCases/ISO4695/{Allclean => Allclean.sh} | 0 5 files changed, 0 insertions(+), 0 deletions(-) rename tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/{Allclean => Allclean.sh} (100%) rename tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/{Allclean => Allclean.sh} (100%) rename tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/{Allclean => Allclean.sh} (100%) rename tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/{Allclean => Allclean.sh} (100%) rename tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/{Allclean => Allclean.sh} (100%) diff --git a/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/Allclean b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/Allclean.sh similarity index 100% rename from tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/Allclean rename to tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/Allclean.sh diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/Allclean b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/Allclean.sh similarity index 100% rename from tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/Allclean rename to tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/Allclean.sh diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/Allclean b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/Allclean.sh similarity index 100% rename from tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/Allclean rename to tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/Allclean.sh diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/Allclean b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/Allclean.sh similarity index 100% rename from tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/Allclean rename to tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/Allclean.sh diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/Allclean b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/Allclean.sh similarity index 100% rename from tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/Allclean rename to tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/Allclean.sh From e06741a47d020007957ac51e9e58178c7987c73e Mon Sep 17 00:00:00 2001 From: Daniel Queteschiner Date: Thu, 19 Sep 2019 09:13:52 +0200 Subject: [PATCH 71/92] add required folder structure for DEM dump and restart files --- .../PolydisperseFluidizedBed/R2_FB/DEM/post/restart/.gitignore | 0 .../30CO6H2_Hematite/DEM/post/restart/.gitignore | 0 .../33CO3H2_Hematite/DEM/post/restart/.gitignore | 0 .../GOD0k1_Hematite/DEM/post/restart/.gitignore | 0 .../SingleParticleCases/ISO4695/DEM/post/restart/.gitignore | 0 5 files changed, 0 insertions(+), 0 deletions(-) create mode 100644 tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/DEM/post/restart/.gitignore create mode 100644 tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/DEM/post/restart/.gitignore create mode 100644 tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/DEM/post/restart/.gitignore create mode 100644 tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/DEM/post/restart/.gitignore create mode 100644 tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/DEM/post/restart/.gitignore diff --git a/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/DEM/post/restart/.gitignore b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/DEM/post/restart/.gitignore new file mode 100644 index 00000000..e69de29b diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/DEM/post/restart/.gitignore b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/DEM/post/restart/.gitignore new file mode 100644 index 00000000..e69de29b diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/DEM/post/restart/.gitignore b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/DEM/post/restart/.gitignore new file mode 100644 index 00000000..e69de29b diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/DEM/post/restart/.gitignore b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/DEM/post/restart/.gitignore new file mode 100644 index 00000000..e69de29b diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/DEM/post/restart/.gitignore b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/DEM/post/restart/.gitignore new file mode 100644 index 00000000..e69de29b From 7b00b7efed81022140cb8c61214004fd5c4a11f4 Mon Sep 17 00:00:00 2001 From: Daniel Queteschiner Date: Thu, 19 Sep 2019 09:32:01 +0200 Subject: [PATCH 72/92] clean up whitespaces and comments --- .../R2_FB/CFD/0/Tsource | 4 +- .../PolydisperseFluidizedBed/R2_FB/CFD/0/U | 4 +- .../R2_FB/CFD/0/addSource | 4 +- .../R2_FB/CFD/0/voidfraction | 6 +- .../R2_FB/CFD/constant/combustionProperties | 2 +- .../R2_FB/CFD/constant/couplingProperties | 29 ++-- .../R2_FB/CFD/constant/foam.dat | 4 +- .../R2_FB/CFD/constant/foam.inp | 2 +- .../R2_FB/CFD/constant/polyMesh/blockMeshDict | 65 ++++----- .../CFD/constant/polyMesh/cylinderMesh.m4 | 22 +-- .../CFD/constant/thermophysicalProperties | 12 +- .../R2_FB/CFD/constant/transportProperties | 8 +- .../R2_FB/CFD/system/controlDict | 127 +++++++++--------- .../R2_FB/CFD/system/fvSchemes | 36 ++--- .../R2_FB/CFD/system/fvSolution | 42 +++--- .../R2_FB/CFD/system/probesDict | 2 +- .../R2_FB/DEM/in.liggghts_init | 31 ++--- .../R2_FB/DEM/in.liggghts_run | 87 ++++++------ 18 files changed, 240 insertions(+), 247 deletions(-) diff --git a/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/0/Tsource b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/0/Tsource index 271c00f2..c6c7ceaf 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/0/Tsource +++ b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/0/Tsource @@ -22,9 +22,9 @@ dimensions [0 0 -1 1 0 0 0]; // q=1000 W/m3 // cp=1000 // rho=1 -// --> Tsource = 1 +// --> Tsource = 1 -internalField uniform 0; +internalField uniform 0; boundaryField { diff --git a/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/0/U b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/0/U index 30a13798..18a8f0e7 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/0/U +++ b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/0/U @@ -23,13 +23,13 @@ boundaryField { side-walls { - type noSlip; + type noSlip; } inlet { type fixedValue; value uniform (0.0 0.25 0.0); -/* type interstitialInletVelocity; +/* type interstitialInletVelocity; inletVelocity uniform (0 0.25 0); alpha voidfraction; value $internalField; */ diff --git a/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/0/addSource b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/0/addSource index 87a15a57..c4319a04 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/0/addSource +++ b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/0/addSource @@ -15,9 +15,9 @@ FoamFile } // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // -dimensions [1 -1 -3 0 0 0 0]; +dimensions [1 -1 -3 0 0 0 0]; -internalField uniform 0; +internalField uniform 0; boundaryField { diff --git a/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/0/voidfraction b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/0/voidfraction index 8bd68494..6365c754 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/0/voidfraction +++ b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/0/voidfraction @@ -28,9 +28,9 @@ boundaryField inlet { - //type zeroGradient; - type fixedValue; - value uniform 1; + //type zeroGradient; + type fixedValue; + value uniform 1; } outlet diff --git a/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/constant/combustionProperties b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/constant/combustionProperties index 487421c2..c5b934a4 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/constant/combustionProperties +++ b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/constant/combustionProperties @@ -20,7 +20,7 @@ combustionModel noCombustion; //PaSR 0 primitives - mode magnitude; // magnitude | component + type fieldMinMax; + libs ("libfieldFunctionObjects.so"); + fields (T); + // Report the location of the field extrema + location yes; + // Type of extrema for rank > 0 primitives + mode magnitude; // magnitude | component } - + fieldMinMax_Cpv { - type fieldMinMax; - libs ("libfieldFunctionObjects.so"); - fields (Cpv); - // Report the location of the field extrema - location yes; - // Type of extrema for rank > 0 primitives - mode magnitude; // magnitude | component + type fieldMinMax; + libs ("libfieldFunctionObjects.so"); + fields (Cpv); + // Report the location of the field extrema + location yes; + // Type of extrema for rank > 0 primitives + mode magnitude; // magnitude | component } - + fieldMinMax_partTemp - { - type fieldMinMax; - libs ("libfieldFunctionObjects.so"); - fields (partTemp); - location yes; - mode magnitude; + { + type fieldMinMax; + libs ("libfieldFunctionObjects.so"); + fields (partTemp); + location yes; + mode magnitude; } globalMassFrac - { + { type volRegion; libs ("libfieldFunctionObjects.so"); - writeControl timeStep;//outputTime; - writeInterval 1; + writeControl timeStep;//outputTime; + writeInterval 1; log true; writeFields false; regionType all; @@ -122,14 +125,14 @@ functions CO2 CO N2 - ); - } + ); + } globalMass - { + { type volRegion; libs ("libfieldFunctionObjects.so"); - writeControl timeStep;//outputTime; + writeControl timeStep;//outputTime; writeInterval 1; log true; writeFields false; @@ -141,13 +144,13 @@ functions rhoeps rho ); - } - + } + inflow_GasSpecies { - type surfaceRegion; + type surfaceRegion; libs ("libfieldFunctionObjects.so"); - writeControl timeStep; + writeControl timeStep; writeInterval 100; log true; // Output field values as well @@ -165,10 +168,10 @@ functions N2 ); } - + inflow_phi { - type surfaceRegion; + type surfaceRegion; libs ("libfieldFunctionObjects.so"); writeControl timeStep; writeInterval 100; @@ -181,15 +184,15 @@ functions fields ( - phi + phi ); } - + inflow_U { - type surfaceRegion; + type surfaceRegion; libs ("libfieldFunctionObjects.so"); - writeControl timeStep; + writeControl timeStep; writeInterval 100; log true; // Output field values as well @@ -200,27 +203,27 @@ functions fields ( - U + U ); } - + outflow_GasSpecies { - $inflow_GasSpecies; - name outlet; + $inflow_GasSpecies; + name outlet; } - + outflow_phi { - $inflow_phi; - name outlet; + $inflow_phi; + name outlet; } - + outflow_U { - $inflow_U; - name outlet; + $inflow_U; + name outlet; } -} +} // ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/system/fvSchemes b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/system/fvSchemes index a819f794..970b6881 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/system/fvSchemes +++ b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/system/fvSchemes @@ -25,36 +25,36 @@ gradSchemes default Gauss linear; grad(p) cellMDLimited leastSquares 0.5; grad(U) cellMDLimited leastSquares 0.5; //cellLimited Gauss linear 1; // - grad(h) cellMDLimited leastSquares 0.5; - grad(e) cellMDLimited leastSquares 0.5; + grad(h) cellMDLimited leastSquares 0.5; + grad(e) cellMDLimited leastSquares 0.5; } divSchemes { default Gauss linear; - div(phi,U) Gauss limitedLinear 1; //Gauss linear; //Gauss limitedLinear 1; // //Gauss limitedLinearV 1; // - div(phid,p) Gauss limitedLinear 1; //Gauss upwind; //Gauss limitedLinearV 1; - div(phi,K) Gauss limitedLinear 1; - div(phi,h) Gauss limitedLinear 1; //Gauss upwind; - div(phi,k) Gauss limitedLinear 1; //Gauss upwind; - div(phi,epsilon) Gauss limitedLinear 1; //Gauss upwind; + div(phi,U) Gauss limitedLinear 1; //Gauss linear; //Gauss limitedLinear 1; // //Gauss limitedLinearV 1; // + div(phid,p) Gauss limitedLinear 1; //Gauss upwind; //Gauss limitedLinearV 1; + div(phi,K) Gauss limitedLinear 1; + div(phi,h) Gauss limitedLinear 1; //Gauss upwind; + div(phi,k) Gauss limitedLinear 1; //Gauss upwind; + div(phi,epsilon) Gauss limitedLinear 1; //Gauss upwind; div(U) Gauss limitedLinear 1; - div(phi,Yi_h) Gauss multivariateSelection - { - CO limitedLinear01 1; - H2 limitedLinear01 1; - N2 limitedLinear01 1; - H2O limitedLinear01 1; + div(phi,Yi_h) Gauss multivariateSelection + { + CO limitedLinear01 1; + H2 limitedLinear01 1; + N2 limitedLinear01 1; + H2O limitedLinear01 1; CO2 limitedLinear01 1; - h limitedLinear 1; + h limitedLinear 1; e limitedLinear 1; - } - // div((muEff*dev2(T(grad(U))))) Gauss linear; + } + // div((muEff*dev2(T(grad(U))))) Gauss linear; div((viscousTerm*dev2(grad(U).T()))) Gauss linear; div((thermo:mu*dev(grad(U).T()))) Gauss linear; div((nuEff*dev2(T(grad(U))))) Gauss linear; - div(phi,T) Gauss limitedLinear 1; + div(phi,T) Gauss limitedLinear 1; } laplacianSchemes diff --git a/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/system/fvSolution b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/system/fvSolution index 1e54f5d8..00d5f329 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/system/fvSolution +++ b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/system/fvSolution @@ -22,7 +22,7 @@ solvers preconditioner DIC; tolerance 1e-6; relTol 0.01; - /*solver GAMG; + /*solver GAMG; tolerance 1e-06; relTol 0.01; smoother GaussSeidel; @@ -41,34 +41,34 @@ solvers tolerance 1e-06; relTol 0; } - + "(rho|G)" { solver PCG; preconditioner DIC; tolerance 1e-6; relTol 0.01; - /*solver smoothSolver; - smoother symGaussSeidel; - tolerance 1e-6; - relTol 0.1; - nSweeps 3;*/ + /*solver smoothSolver; + smoother symGaussSeidel; + tolerance 1e-6; + relTol 0.1; + nSweeps 3;*/ } - + "(rho|G)Final" { - $rho; + $rho; tolerance 1e-06; relTol 0; } - + "(U|h|e|R|k|epsilon)" { solver smoothSolver; smoother symGaussSeidel; tolerance 1e-05; relTol 0.1; - maxIter 100; + maxIter 100; } "(U|h|e|R|k|epsilon)Final" @@ -77,14 +77,14 @@ solvers tolerance 1e-05; relTol 0; } - + "(Yi|CO|CO2|H2|H2O|N2)" { solver smoothSolver; smoother symGaussSeidel; tolerance 1e-06; relTol 0.01; - maxIter 100; + maxIter 100; } "(Yi|CO|CO2|H2|H2O|N2)Final" @@ -92,9 +92,9 @@ solvers $Yi; tolerance 1e-06; relTol 0; - maxIter 100; + maxIter 100; } - + T { solver PBiCG; @@ -110,22 +110,22 @@ PIMPLE nOuterCorrectors 5; nCorrectors 2; nNonOrthogonalCorrectors 0; - rhoMin rhoMin [ 1 -3 0 0 0 ] 0.4; - rhoMax rhoMax [ 1 -3 0 0 0 ] 2.0; + rhoMin rhoMin [ 1 -3 0 0 0 ] 0.4; + rhoMax rhoMax [ 1 -3 0 0 0 ] 2.0; } relaxationFactors { fields { - T 0.5; - "(Yi|CO|CO2|H2|H2O|N2)" 0.6; - p 0.6; + T 0.5; + "(Yi|CO|CO2|H2|H2O|N2)" 0.6; + p 0.6; } equations { ".*" 0.8; - "(h|e).*" 0.5; + "(h|e).*" 0.5; } } diff --git a/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/system/probesDict b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/system/probesDict index bad69162..f956f8cf 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/system/probesDict +++ b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/system/probesDict @@ -48,7 +48,7 @@ writeInterval 10000; // Locations to be probed. probeLocations ( - (0.03 0.025 0.03) + (0.03 0.025 0.03) (0.03 0.05 0.03) (0.03 0.075 0.03) (0.03 0.09 0.03) diff --git a/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/DEM/in.liggghts_init b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/DEM/in.liggghts_init index 8456fd19..6fb9060f 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/DEM/in.liggghts_init +++ b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/DEM/in.liggghts_init @@ -8,13 +8,13 @@ boundary f f f newton off units si -processors 2 2 2 +processors * 1 2 -region reg block -0.034 0.034 0.000 0.15 -0.034 0.034 +region reg block -0.034 0.034 0.000 0.15 -0.034 0.034 create_box 2 reg neighbor 1e-4 bin -neigh_modify delay 0 +neigh_modify delay 0 # Material properties required for granular pair styles fix m1 all property/global youngsModulus peratomtype 5.e6 5.e6 @@ -23,7 +23,7 @@ fix m3 all property/global coefficientRestitution peratomtypepair 2 0.3 fix m4 all property/global coefficientFriction peratomtypepair 2 0.5 0.5 0.5 0.5 # pair style -pair_style gran model hertz tangential history +pair_style gran model hertz tangential history pair_coeff * * # timestep, gravity @@ -39,14 +39,14 @@ fix cylwalls all wall/gran model hertz tangential history primitive type 1 y region insreg1 cylinder y 0.0 0.0 0.034 0.00 0.15 units box #insert Quartz particles -fix pts5 all particletemplate/sphere 61 atom_type 2 density constant 2630 radius constant 0.00025 -fix pdd2 all particledistribution/discrete 1 1 pts5 1.0 +fix pts5 all particletemplate/sphere 61 atom_type 2 density constant 2630 radius constant 0.00025 +fix pdd2 all particledistribution/discrete 1 1 pts5 1.0 #insert iron-ore range fix pts1 all particletemplate/sphere 21 atom_type 1 density constant 4300 radius constant 0.000375 -fix pts2 all particletemplate/sphere 31 atom_type 1 density constant 4300 radius constant 0.000188 -fix pts3 all particletemplate/sphere 41 atom_type 1 density constant 4300 radius constant 0.000125 -fix pts4 all particletemplate/sphere 51 atom_type 1 density constant 4300 radius constant 6.25E-05 +fix pts2 all particletemplate/sphere 31 atom_type 1 density constant 4300 radius constant 0.000188 +fix pts3 all particletemplate/sphere 41 atom_type 1 density constant 4300 radius constant 0.000125 +fix pts4 all particletemplate/sphere 51 atom_type 1 density constant 4300 radius constant 6.25E-05 fix pdd1 all particledistribution/discrete 1 4 pts1 0.228 pts2 0.286 pts3 0.332 pts4 0.154 @@ -59,26 +59,27 @@ fix ins2 all insert/pack seed 5331 distributiontemplate pdd2 & maxattempt 1000 insert_every once overlapcheck yes all_in yes vel constant 0.0 0.0 0.0 & region insreg1 mass_in_region 0.2 -run 150000 +run 150000 fix ins1 all insert/pack seed 5330 distributiontemplate pdd1 & maxattempt 1000 insert_every once overlapcheck yes all_in yes vel constant 0.0 0.0 0.0 & region insreg1 mass_in_region 0.365 -#make groups +# make groups group ore type 1 group quartz type 2 # screen output compute rke all erotate/sphere -thermo_style custom step atoms ke c_rke vol +thermo_style custom step atoms ke c_rke vol thermo 1000 thermo_modify lost ignore norm no compute_modify thermo_temp dynamic yes # insert the first particles so that dump is not empty run 1 -dump dmp all custom 5000 post/dump.liggghts_init id type x y z vx vy vz fx fy fz radius mass +dump dmp all custom 5000 post/dump.liggghts_init id type x y z vx vy vz fx fy fz radius mass -run 300000 upto -write_restart post/restart/liggghts.restart +run 300000 upto + +write_restart ../DEM/post/restart/liggghts.restart diff --git a/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/DEM/in.liggghts_run b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/DEM/in.liggghts_run index df930752..89aa9d3f 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/DEM/in.liggghts_run +++ b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/DEM/in.liggghts_run @@ -1,4 +1,4 @@ -# Pour granular particles into chute container, then induce flow +# chemistry in fluidized bed log ../DEM/log.liggghts thermo_log ../DEM/post/thermo.txt @@ -12,7 +12,7 @@ boundary f f f newton off units si -processors 2 2 2 +processors 2 * 2 # read the restart file read_restart ../DEM/post/restart/liggghts.restart @@ -40,12 +40,12 @@ fix zwalls2 all wall/gran model hertz tangential history primitive type 1 y fix cylwalls all wall/gran model hertz tangential history primitive type 1 ycylinder 0.034 0. 0. # Thermal properties -fix ftco all property/global thermalConductivity peratomtype 1.4 1.4 -fix ftca all property/global thermalCapacity peratomtype 3000 5000 +fix ftco all property/global thermalConductivity peratomtype 1.4 1.4 +fix ftca all property/global thermalCapacity peratomtype 3000 5000 -#re-make groups -group ore type 1 -group quartz type 2 +# re-make groups +group ore type 1 +group quartz type 2 ############################################### fix ts_check all check/timestep/gran 10 0.1 0.1 @@ -63,7 +63,7 @@ compute KinEn all ke variable ke_tot equal c_KinEn # this one invokes heat transfer calculation, transfers per-particle temperature and adds convective heat flux to particles -fix tconv all couple/cfd/convection T0 1022 +fix tconv all couple/cfd/convection T0 1022 ############### # this should invoke chemistry @@ -77,25 +77,25 @@ fix cfd6 ore chem/shrink/core speciesA H2 molMassA 0.00202 speciesC H2O molM fix k0_CO ore property/atom k0_cfd5 vector yes no no 17 25 2700 fix Ea_CO ore property/atom Ea_cfd5 vector yes no no 69488 95000 130940 -fix k0_H2 ore property/atom k0_cfd6 vector yes no no 30 23 160 -fix Ea_H2 ore property/atom Ea_cfd6 vector yes no no 63627 85000 105908 +fix k0_H2 ore property/atom k0_cfd6 vector yes no no 30 23 160 +fix Ea_H2 ore property/atom Ea_cfd6 vector yes no no 63627 85000 105908 # particle parameters -fix porosity ore property/atom porosity_ vector yes no no 0.61 0.34 0.19 0.17 -fix tortuosity ore property/global tortuosity_ scalar 3 -fix pore_diameter ore property/global pore_diameter_ scalar 1.e-7 +fix porosity ore property/atom porosity_ vector yes no no 0.61 0.34 0.19 0.17 +fix tortuosity ore property/global tortuosity_ scalar 3 +fix pore_diameter ore property/global pore_diameter_ scalar 1.e-7 # define layer properties fix LayerRelRadii ore property/atom relRadii vector yes no no 1.0 0.998 0.995 0.98 ### define fix for mass layer - initial testing -fix LayerMasses ore property/atom massLayer vector yes no no 0. 0. 0. 0. -fix LayerDennsities ore property/global density_ore vector 7870. 5740. 5170. 5240. +fix LayerMasses ore property/atom massLayer vector yes no no 0. 0. 0. 0. +fix LayerDennsities ore property/global density_ore vector 7870. 5740. 5170. 5240. ## define fix for rho_eff and fracRed - initialize as zero -fix fracRed ore property/atom fracRed_ore vector yes no no 0. 0. 0. -fix rhoeff ore property/atom rhoeff vector yes no no 0. 0. 0. 0. +fix fracRed ore property/atom fracRed_ore vector yes no no 0. 0. 0. +fix rhoeff ore property/atom rhoeff vector yes no no 0. 0. 0. 0. ############### # Write data into files for post-processing @@ -106,7 +106,7 @@ variable WI equal 100000 variable time equal time compute fr_1 all reduce sum f_fracRed[1] f_fracRed[2] f_fracRed[3] -fix fr_d1 all ave/time 1 1 1 c_fr_1[1] c_fr_1[2] c_fr_1[3] +fix fr_d1 all ave/time 1 1 1 c_fr_1[1] c_fr_1[2] c_fr_1[3] variable fr_d1_1 equal f_fr_d1[1] variable fr_d1_2 equal f_fr_d1[2] variable fr_d1_3 equal f_fr_d1[3] @@ -125,13 +125,13 @@ fix printfrdividied all print ${WI} "${time} ${fr_1_divided} ${fr_2_divided} ${f ### Reactant gas mass change ### compute dma_CO all reduce sum f_dmA_cfd5[1] f_dmA_cfd5[2] f_dmA_cfd5[3] -fix dmA_f_CO all ave/time 1 1 1 c_dma_CO[1] c_dma_CO[2] c_dma_CO[3] +fix dmA_f_CO all ave/time 1 1 1 c_dma_CO[1] c_dma_CO[2] c_dma_CO[3] variable dmA_CO_1 equal f_dmA_f_CO[1] variable dmA_CO_2 equal f_dmA_f_CO[2] variable dmA_CO_3 equal f_dmA_f_CO[3] compute dma_H2 all reduce sum f_dmA_cfd6[1] f_dmA_cfd6[2] f_dmA_cfd6[3] -fix dmA_f_H2 all ave/time 1 1 1 c_dma_H2[1] c_dma_H2[2] c_dma_H2[3] +fix dmA_f_H2 all ave/time 1 1 1 c_dma_H2[1] c_dma_H2[2] c_dma_H2[3] variable dmA_H2_1 equal f_dmA_f_H2[1] variable dmA_H2_2 equal f_dmA_f_H2[2] variable dmA_H2_3 equal f_dmA_f_H2[3] @@ -142,46 +142,46 @@ fix printdmA all print ${WI} "${time} ${dmA_CO_1} ${dmA_CO_2} ${dmA_CO_3} ${dmA_ ############### compute Aterm_red_CO all reduce sum f_Aterm_cfd5[1] f_Aterm_cfd5[2] f_Aterm_cfd5[3] -fix Aterm1 all ave/time 10 1 10 c_Aterm_red_CO[1] c_Aterm_red_CO[2] c_Aterm_red_CO[3] +fix Aterm1 all ave/time 10 1 10 c_Aterm_red_CO[1] c_Aterm_red_CO[2] c_Aterm_red_CO[3] variable a_CO_1 equal f_Aterm1[1] variable a_CO_2 equal f_Aterm1[2] variable a_CO_3 equal f_Aterm1[3] compute Aterm_red_H2 all reduce sum f_Aterm_cfd6[1] f_Aterm_cfd6[2] f_Aterm_cfd6[3] -fix Aterm2 all ave/time 10 1 10 c_Aterm_red_H2[1] c_Aterm_red_H2[2] c_Aterm_red_H2[3] +fix Aterm2 all ave/time 10 1 10 c_Aterm_red_H2[1] c_Aterm_red_H2[2] c_Aterm_red_H2[3] variable a_H2_1 equal f_Aterm2[1] variable a_H2_2 equal f_Aterm2[2] variable a_H2_3 equal f_Aterm2[3] compute Bterm_red_CO all reduce sum f_Bterm_cfd5[1] f_Bterm_cfd5[2] f_Bterm_cfd5[3] -fix Bterm1 all ave/time 10 1 10 c_Bterm_red_CO[1] c_Bterm_red_CO[2] c_Bterm_red_CO[3] +fix Bterm1 all ave/time 10 1 10 c_Bterm_red_CO[1] c_Bterm_red_CO[2] c_Bterm_red_CO[3] variable b_CO_1 equal f_Bterm1[1] variable b_CO_2 equal f_Bterm1[2] variable b_CO_3 equal f_Bterm1[3] compute Bterm_red_H2 all reduce sum f_Bterm_cfd6[1] f_Bterm_cfd6[2] f_Bterm_cfd6[3] -fix Bterm2 all ave/time 10 1 10 c_Bterm_red_H2[1] c_Bterm_red_H2[2] c_Bterm_red_H2[3] +fix Bterm2 all ave/time 10 1 10 c_Bterm_red_H2[1] c_Bterm_red_H2[2] c_Bterm_red_H2[3] variable b_H2_1 equal f_Bterm2[1] variable b_H2_2 equal f_Bterm2[2] variable b_H2_3 equal f_Bterm2[3] compute Massterm_red_CO all reduce sum f_Massterm_cfd5 -fix Massterm1 all ave/time 10 1 10 c_Massterm_red_CO +fix Massterm1 all ave/time 10 1 10 c_Massterm_red_CO variable mt_CO equal f_Massterm1 compute Massterm_red_H2 all reduce sum f_Massterm_cfd6 -fix Massterm2 all ave/time 10 1 10 c_Massterm_red_H2 +fix Massterm2 all ave/time 10 1 10 c_Massterm_red_H2 variable mt_H2 equal f_Massterm2 fix printAterm all print ${WI} "${time} ${a_CO_1} ${a_CO_2} ${a_CO_3} ${a_H2_1} ${a_H2_2} ${a_H2_3}" file Aterm.dat title "#time a_CO_1 aCO_2 a_CO_3 a_H2_1 a_H2_2 a_H2_3" fix printBterm all print ${WI} "${time} ${b_CO_1} ${b_CO_2} ${b_CO_3} ${b_H2_1} ${b_H2_2} ${b_H2_3}" file Bterm.dat title "#time b_CO_1 b_CO_2 b_CO_3 b_H2_1 b_H2_2 b_H2_3" -fix printMterm all print ${WI} "${time} ${mt_CO} ${mt_H2}" file Mterm.dat title "#time mt_CO mt_H2" +fix printMterm all print ${WI} "${time} ${mt_CO} ${mt_H2}" file Mterm.dat title "#time mt_CO mt_H2" ############### compute mass_layer all reduce sum f_LayerMasses[1] f_LayerMasses[2] f_LayerMasses[3] f_LayerMasses[4] -fix massLayerPrintout all ave/time 1 1 1 c_mass_layer[1] c_mass_layer[2] c_mass_layer[3] c_mass_layer[4] +fix massLayerPrintout all ave/time 1 1 1 c_mass_layer[1] c_mass_layer[2] c_mass_layer[3] c_mass_layer[4] variable mL1 equal f_massLayerPrintout[1] variable mL2 equal f_massLayerPrintout[2] variable mL3 equal f_massLayerPrintout[3] @@ -200,49 +200,49 @@ variable dY_H2_2 equal f_dY_H2_Output[2] variable dY_H2_3 equal f_dY_H2_Output[3] compute xA_CO all reduce sum f_X_CO -fix molarFractionA_CO all ave/time 1 1 1 c_xA_CO +fix molarFractionA_CO all ave/time 1 1 1 c_xA_CO variable xA_CO_1 equal f_molarFractionA_CO compute xA_H2 all reduce sum f_X_H2 -fix molarFractionA_H2 all ave/time 1 1 1 c_xA_H2 +fix molarFractionA_H2 all ave/time 1 1 1 c_xA_H2 variable xA_H2_1 equal f_molarFractionA_H2 compute xC_CO2 all reduce sum f_X_CO2 -fix molarFractionC_CO2 all ave/time 1 1 1 c_xC_CO2 +fix molarFractionC_CO2 all ave/time 1 1 1 c_xC_CO2 variable xC_CO2_1 equal f_molarFractionC_CO2 compute xC_H2O all reduce sum f_X_H2O -fix molarFractionC_H2O all ave/time 1 1 1 c_xC_H2O +fix molarFractionC_H2O all ave/time 1 1 1 c_xC_H2O variable xC_H2O_1 equal f_molarFractionC_H2O fix printMassLayer all print ${WI} "${time} ${mL1} ${mL2} ${mL3} ${mL4}" file MassLayers.dat title "#time mL_Fe mL_w mL_m mL_h" -fix printdmYLayer all print ${WI} "${time} ${dY_CO_1} ${dY_CO_2} ${dY_CO_3} ${dY_H2_1} ${dY_H2_2} ${dY_H2_3}" file dmY.dat title "#time dY_CO_1 dY_CO_2 dY_CO_3 dY_H2_1 dY_H2_2 dY_H2_3" +fix printdmYLayer all print ${WI} "${time} ${dY_CO_1} ${dY_CO_2} ${dY_CO_3} ${dY_H2_1} ${dY_H2_2} ${dY_H2_3}" file dmY.dat title "#time dY_CO_1 dY_CO_2 dY_CO_3 dY_H2_1 dY_H2_2 dY_H2_3" fix molarFractions all print ${WI} "${time} ${xA_CO_1} ${xA_H2_1} ${xC_CO2_1} ${xC_H2O_1}" file molarFractions.dat title "#title x_CO x_H2 x_CO2 x_H2O" ############### compute effDiffBinary_red_CO all reduce sum f_effDiffBinary_cfd5[1] f_effDiffBinary_cfd5[2] f_effDiffBinary_cfd5[3] -fix effDiffBinary1 all ave/time 10 1 10 c_effDiffBinary_red_CO[1] c_effDiffBinary_red_CO[2] c_effDiffBinary_red_CO[3] +fix effDiffBinary1 all ave/time 10 1 10 c_effDiffBinary_red_CO[1] c_effDiffBinary_red_CO[2] c_effDiffBinary_red_CO[3] variable dij_CO_1 equal f_effDiffBinary1[1] variable dij_CO_2 equal f_effDiffBinary1[2] variable dij_CO_3 equal f_effDiffBinary1[3] compute effDiffBinary_red_H2 all reduce sum f_effDiffBinary_cfd6[1] f_effDiffBinary_cfd6[2] f_effDiffBinary_cfd6[3] -fix effDiffBinary2 all ave/time 10 1 10 c_effDiffBinary_red_H2[1] c_effDiffBinary_red_H2[2] c_effDiffBinary_red_H2[3] +fix effDiffBinary2 all ave/time 10 1 10 c_effDiffBinary_red_H2[1] c_effDiffBinary_red_H2[2] c_effDiffBinary_red_H2[3] variable dij_H2_1 equal f_effDiffBinary2[1] variable dij_H2_2 equal f_effDiffBinary2[2] variable dij_H2_3 equal f_effDiffBinary2[3] compute effDiffKnud_red_CO all reduce sum f_effDiffKnud_cfd5[1] f_effDiffKnud_cfd5[2] f_effDiffKnud_cfd5[3] -fix effDiffKnud1 all ave/time 10 1 10 c_effDiffKnud_red_CO[1] c_effDiffKnud_red_CO[2] c_effDiffKnud_red_CO[3] +fix effDiffKnud1 all ave/time 10 1 10 c_effDiffKnud_red_CO[1] c_effDiffKnud_red_CO[2] c_effDiffKnud_red_CO[3] variable dik_CO_1 equal f_effDiffKnud1[1] variable dik_CO_2 equal f_effDiffKnud1[2] variable dik_CO_3 equal f_effDiffKnud1[3] compute effDiffKnud_red_H2 all reduce sum f_effDiffKnud_cfd6[1] f_effDiffKnud_cfd6[2] f_effDiffKnud_cfd6[3] -fix effDiffKnud2 all ave/time 10 1 10 c_effDiffKnud_red_H2[1] c_effDiffKnud_red_H2[2] c_effDiffKnud_red_H2[3] +fix effDiffKnud2 all ave/time 10 1 10 c_effDiffKnud_red_H2[1] c_effDiffKnud_red_H2[2] c_effDiffKnud_red_H2[3] variable dik_H2_1 equal f_effDiffKnud2[1] variable dik_H2_2 equal f_effDiffKnud2[2] variable dik_H2_3 equal f_effDiffKnud2[3] @@ -252,20 +252,20 @@ fix printDiffTerms all print ${WI} "${time} ${dij_CO_1} ${dij_CO_2} ${dij_CO_3} ############### ## Check Layer Radii and Write them to files ### -compute layerRad1 all reduce sum f_LayerRelRadii[1] -fix redRad1 all ave/time 1 1 1 c_layerRad1 +compute layerRad1 all reduce sum f_LayerRelRadii[1] +fix redRad1 all ave/time 1 1 1 c_layerRad1 variable rr1 equal f_redRad1 compute layerRad2 all reduce sum f_LayerRelRadii[2] -fix redRad2 all ave/time 1 1 1 c_layerRad2 +fix redRad2 all ave/time 1 1 1 c_layerRad2 variable rr2 equal f_redRad2 compute layerRad3 all reduce sum f_LayerRelRadii[3] -fix redRad3 all ave/time 1 1 1 c_layerRad3 +fix redRad3 all ave/time 1 1 1 c_layerRad3 variable rr3 equal f_redRad3 compute layerRad4 all reduce sum f_LayerRelRadii[4] -fix redRad4 all ave/time 1 1 1 c_layerRad4 +fix redRad4 all ave/time 1 1 1 c_layerRad4 variable rr4 equal f_redRad4 fix printRelRadii all print ${WI} "${time} ${rr1} ${rr2} ${rr3} ${rr4}" file relRadii.dat title "#time relRad_1 relRad_2 relRad_3 relRad_4" @@ -278,5 +278,6 @@ thermo 10 thermo_modify lost ignore norm no compute_modify thermo_temp dynamic yes -dump dmp all custom ${WI} ../DEM/post/dump*.liggghts_run id type x y z vx vy vz fx fy fz radius mass f_fracRed[1] f_fracRed[2] f_fracRed[3] +dump dmp all custom ${WI} ../DEM/post/dump*.liggghts_run id type x y z vx vy vz fx fy fz radius mass f_fracRed[1] f_fracRed[2] f_fracRed[3] + run 1 From 16700acdc11f3c584d6c3b8ce803f906f7aec166 Mon Sep 17 00:00:00 2001 From: Daniel Queteschiner Date: Thu, 19 Sep 2019 09:38:01 +0200 Subject: [PATCH 73/92] adjust file permissions and clean up comments [ci skip] --- .../PolydisperseFluidizedBed/R2_FB/Allclean.sh | 0 .../PolydisperseFluidizedBed/R2_FB/Allrun.sh | 7 +++++++ .../PolydisperseFluidizedBed/R2_FB/parCFDDEMrun.sh | 7 +++---- .../PolydisperseFluidizedBed/R2_FB/parDEMrun.sh | 7 +++---- .../SingleParticleCases/30CO6H2_Hematite/Allclean.sh | 0 .../SingleParticleCases/30CO6H2_Hematite/parCFDDEMrun.sh | 2 +- .../SingleParticleCases/33CO3H2_Hematite/Allclean.sh | 0 .../SingleParticleCases/33CO3H2_Hematite/Allrun.sh | 5 ++--- .../SingleParticleCases/33CO3H2_Hematite/parCFDDEMrun.sh | 7 +++---- .../SingleParticleCases/33CO3H2_Hematite/parDEMrun.sh | 5 ++--- .../SingleParticleCases/GOD0k1_Hematite/Allclean.sh | 0 .../SingleParticleCases/GOD0k1_Hematite/parCFDDEMrun.sh | 0 .../SingleParticleCases/ISO4695/Allclean.sh | 0 .../SingleParticleCases/ISO4695/parCFDDEMrun.sh | 0 14 files changed, 21 insertions(+), 19 deletions(-) mode change 100644 => 100755 tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/Allclean.sh mode change 100644 => 100755 tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/Allclean.sh mode change 100644 => 100755 tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/parCFDDEMrun.sh mode change 100644 => 100755 tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/Allclean.sh mode change 100644 => 100755 tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/parCFDDEMrun.sh mode change 100644 => 100755 tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/Allclean.sh mode change 100644 => 100755 tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/parCFDDEMrun.sh mode change 100644 => 100755 tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/Allclean.sh mode change 100644 => 100755 tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/parCFDDEMrun.sh diff --git a/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/Allclean.sh b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/Allclean.sh old mode 100644 new mode 100755 diff --git a/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/Allrun.sh b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/Allrun.sh index 42728e0b..184e2a3e 100755 --- a/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/Allrun.sh +++ b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/Allrun.sh @@ -1,4 +1,10 @@ #!/bin/bash + +#===================================================================# +# allrun script for testcase +# M. Efe Kinaci - Sep 2018 +#===================================================================# + #- source CFDEM env vars . ~/.bashrc @@ -8,6 +14,7 @@ source $CFDEM_PROJECT_DIR/etc/functions.sh #- define variables casePath="$(dirname "$(readlink -f ${BASH_SOURCE[0]})")" export casePath + cd $casePath/CFD/ blockMesh diff --git a/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/parCFDDEMrun.sh b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/parCFDDEMrun.sh index aeee36fd..319665a4 100755 --- a/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/parCFDDEMrun.sh +++ b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/parCFDDEMrun.sh @@ -1,9 +1,8 @@ #!/bin/bash #===================================================================# -# allrun script for testcase as part of test routine -# run settlingTest CFD part -# Christoph Goniva - Feb. 2011 +# allrun script for testcase +# M. Efe Kinaci - Sep 2018 #===================================================================# #- source CFDEM env vars @@ -19,7 +18,7 @@ logpath=$casePath headerText="R2_FluidBed" logfileName="log_$headerText" solverName="cfdemSolverRhoPimpleChem" #"cfdemSolverPiso" # -nrProcs="8" +nrProcs="4" machineFileName="none" # yourMachinefileName | none debugMode="off" # on | off| strict testHarnessPath="$CFDEM_TEST_HARNESS_PATH" diff --git a/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/parDEMrun.sh b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/parDEMrun.sh index 2841da36..d6d5e95b 100755 --- a/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/parDEMrun.sh +++ b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/parDEMrun.sh @@ -1,9 +1,8 @@ #!/bin/bash #===================================================================# -# DEMrun script for ErgunTestMPI testcase -# init ErgunTestMPI -# Christoph Goniva - July 2014 +# DEMrun script for testcase +# M. Efe Kinaci - Sep 2018 #===================================================================# #- source CFDEM env vars @@ -20,7 +19,7 @@ logpath="$casePath" headerText="run_liggghts_init_DEM" logfileName="log_$headerText" solverName="in.liggghts_init" -nrProcs=8 +nrProcs=4 machineFileName="none" debugMode="off" #--------------------------------------------------------------------------------# diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/Allclean.sh b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/Allclean.sh old mode 100644 new mode 100755 diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/parCFDDEMrun.sh b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/parCFDDEMrun.sh old mode 100644 new mode 100755 index cfa62fe8..6c41b724 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/parCFDDEMrun.sh +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/parCFDDEMrun.sh @@ -15,7 +15,7 @@ source $CFDEM_PROJECT_DIR/etc/functions.sh #- define variables casePath="$(dirname "$(readlink -f ${BASH_SOURCE[0]})")" logpath=$casePath -headerText="GOD0k1H26pcnt" +headerText="30CO6H2_Hematite" logfileName="log_$headerText" solverName="cfdemSolverRhoPimpleChem" nrProcs="2" diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/Allclean.sh b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/Allclean.sh old mode 100644 new mode 100755 diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/Allrun.sh b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/Allrun.sh index 5c5cfbbc..0f5569b2 100755 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/Allrun.sh +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/Allrun.sh @@ -1,9 +1,8 @@ #!/bin/bash #===================================================================# -# allrun script for testcase as part of test routine -# run settlingTest -# Christoph Goniva - Sept. 2010 +# allrun script for testcase +# M. Efe Kinaci - Sep 2018 #===================================================================# #- source CFDEM env vars diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/parCFDDEMrun.sh b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/parCFDDEMrun.sh old mode 100644 new mode 100755 index 30038499..43a7ad27 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/parCFDDEMrun.sh +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/parCFDDEMrun.sh @@ -1,9 +1,8 @@ #!/bin/bash #===================================================================# -# allrun script for testcase as part of test routine -# run settlingTest CFD part -# Christoph Goniva - Feb. 2011 +# allrun script for testcase +# M. Efe Kinaci - Sep 2019 #===================================================================# #- source CFDEM env vars @@ -16,7 +15,7 @@ source $CFDEM_PROJECT_DIR/etc/functions.sh #- define variables casePath="$(dirname "$(readlink -f ${BASH_SOURCE[0]})")" logpath=$casePath -headerText="GOD0k1H23pcnt" +headerText="33CO3H2_Hematite" logfileName="log_$headerText" solverName="cfdemSolverRhoPimpleChem" nrProcs="2" diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/parDEMrun.sh b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/parDEMrun.sh index 3b9653f8..bdf87ec6 100755 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/parDEMrun.sh +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/parDEMrun.sh @@ -1,9 +1,8 @@ #!/bin/bash #===================================================================# -# DEMrun script for ErgunTestMPI testcase -# init ErgunTestMPI -# Christoph Goniva - July 2014 +# DEMrun script for testcase +# M. Efe Kinaci - Sep 2019 #===================================================================# #- source CFDEM env vars diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/Allclean.sh b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/Allclean.sh old mode 100644 new mode 100755 diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/parCFDDEMrun.sh b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/parCFDDEMrun.sh old mode 100644 new mode 100755 diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/Allclean.sh b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/Allclean.sh old mode 100644 new mode 100755 diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/parCFDDEMrun.sh b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/parCFDDEMrun.sh old mode 100644 new mode 100755 From a26052a8b72b95a766a9265aa3da8af9b4dd6abe Mon Sep 17 00:00:00 2001 From: Daniel Queteschiner Date: Thu, 19 Sep 2019 09:41:06 +0200 Subject: [PATCH 74/92] replace $casePath/CFD with $FOAM_CASE --- .../R2_FB/CFD/constant/couplingProperties | 20 +++++++++---------- .../CFD/constant/thermophysicalProperties | 4 ++-- .../CFD/constant/couplingProperties | 20 +++++++++---------- .../CFD/constant/thermophysicalProperties | 4 ++-- 4 files changed, 24 insertions(+), 24 deletions(-) diff --git a/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/constant/couplingProperties b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/constant/couplingProperties index b4205bea..2532620b 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/constant/couplingProperties +++ b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/constant/couplingProperties @@ -101,20 +101,20 @@ heatTransferGunnProps speciesProps { - ChemistryFile "$casePath/CFD/constant/foam.inp"; - Nevery 1; - verbose false; - interpolation false; + ChemistryFile "$FOAM_CASE/constant/foam.inp"; + Nevery 1; + verbose false; + interpolation false; } diffusionCoefficientsProps { - verbose false; - interpolation false; - ChemistryFile "$casePath/CFD/constant/foam.inp"; - diffusantGasNames ( CO - H2 - ); + verbose false; + interpolation false; + ChemistryFile "$FOAM_CASE/constant/foam.inp"; + diffusantGasNames ( CO + H2 + ); } massTransferCoeffProps diff --git a/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/constant/thermophysicalProperties b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/constant/thermophysicalProperties index bb830547..be7afe88 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/constant/thermophysicalProperties +++ b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/constant/thermophysicalProperties @@ -28,9 +28,9 @@ thermoType chemistryReader foamChemistryReader; -foamChemistryThermoFile "$casePath/CFD/constant/foam.dat"; +foamChemistryThermoFile "$FOAM_CASE/constant/foam.dat"; -foamChemistryFile "$casePath/CFD/constant/foam.inp"; +foamChemistryFile "$FOAM_CASE/constant/foam.inp"; inertSpecie N2; diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/couplingProperties b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/couplingProperties index 27a42f75..73976bd9 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/couplingProperties +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/couplingProperties @@ -101,20 +101,20 @@ heatTransferGunnProps speciesProps { - ChemistryFile "$casePath/CFD/constant/foam.inp"; - Nevery 1; - verbose false; - interpolation false; + ChemistryFile "$FOAM_CASE/constant/foam.inp"; + Nevery 1; + verbose false; + interpolation false; } diffusionCoefficientsProps { - verbose false; - interpolation false; - ChemistryFile "$casePath/CFD/constant/foam.inp"; - diffusantGasNames ( CO - H2 - ); + verbose false; + interpolation false; + ChemistryFile "$FOAM_CASE/constant/foam.inp"; + diffusantGasNames ( CO + H2 + ); } massTransferCoeffProps diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/thermophysicalProperties b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/thermophysicalProperties index 3208f9d2..84303b95 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/thermophysicalProperties +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/thermophysicalProperties @@ -28,9 +28,9 @@ thermoType chemistryReader foamChemistryReader; -foamChemistryThermoFile "$casePath/CFD/constant/foam.dat"; +foamChemistryThermoFile "$FOAM_CASE/constant/foam.dat"; -foamChemistryFile "$casePath/CFD/constant/foam.inp"; +foamChemistryFile "$FOAM_CASE/constant/foam.inp"; inertSpecie N2; From e37d3b4e7ea501235c87444acf30da362e7cc3c4 Mon Sep 17 00:00:00 2001 From: Daniel Queteschiner Date: Thu, 19 Sep 2019 09:42:57 +0200 Subject: [PATCH 75/92] fix test harness run configuration [ci skip] --- .../PolydisperseFluidizedBed/R2_FB/run.config | 5 +++-- 1 file changed, 3 insertions(+), 2 deletions(-) diff --git a/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/run.config b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/run.config index 032fedbb..74ab523b 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/run.config +++ b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/run.config @@ -4,12 +4,13 @@ { "name" : "liggghts-init", "input_script" : "DEM/in.liggghts_init", - "type" : "liggghts/serial" + "type" : "liggghts/mpi", + "nprocs" : 4 }, { "name" : "cfdemrun", "depends_on" : "liggghts-init", - "solver" : "cfdemSolverPiso", + "solver" : "cfdemSolverRhoPimpleChem", "type" : "CFDEMcoupling/mpi", "nprocs" : 4, "pre_scripts" : ["prerun.sh"], From 0c1ddfb0cc1c9e4fbe57d1cfd55642b3834792fb Mon Sep 17 00:00:00 2001 From: Daniel Queteschiner Date: Thu, 19 Sep 2019 12:12:50 +0200 Subject: [PATCH 76/92] clean up whitespaces --- .../30CO6H2_Hematite/Allrun.sh | 2 +- .../30CO6H2_Hematite/CFD/0/CO | 2 +- .../30CO6H2_Hematite/CFD/0/H2 | 2 +- .../30CO6H2_Hematite/CFD/0/Us | 2 +- .../30CO6H2_Hematite/CFD/0/rho | 2 +- .../CFD/constant/couplingProperties | 10 ++-- .../30CO6H2_Hematite/CFD/system/probesDict | 54 +++++++++---------- .../30CO6H2_Hematite/README | 2 +- 8 files changed, 38 insertions(+), 38 deletions(-) diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/Allrun.sh b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/Allrun.sh index 0f5569b2..0c4e9bba 100755 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/Allrun.sh +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/Allrun.sh @@ -32,7 +32,7 @@ else blockMesh fi -if [ -f "$casePath/DEM/post/restart/liggghts.restart" ]; then +if [ -f "$casePath/DEM/post/restart/liggghts.restart" ]; then echo "LIGGGHTS init was run before - using existing restart file" else #- run DEM in new terminal diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/CO b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/CO index 190dc9d9..7e03c32c 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/CO +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/CO @@ -17,7 +17,7 @@ FoamFile dimensions [0 0 0 0 0 0 0]; -internalField uniform 0.3101580355; +internalField uniform 0.3101580355; boundaryField { diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/H2 b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/H2 index 117ad937..be47edbc 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/H2 +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/H2 @@ -17,7 +17,7 @@ FoamFile dimensions [0 0 0 0 0 0 0]; -internalField uniform 0.0044735397; +internalField uniform 0.0044735397; boundaryField { diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/Us b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/Us index a769f873..4e80604a 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/Us +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/Us @@ -33,7 +33,7 @@ boundaryField { type zeroGradient; } - + inlet { type zeroGradient; diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/rho b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/rho index f72d4948..c71cb3a4 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/rho +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/0/rho @@ -16,7 +16,7 @@ FoamFile dimensions [1 -3 0 0 0 0 0]; -internalField uniform 1.2415; // [for 33CO 3H2 4CO2 60N2]; +internalField uniform 1.2415; // [for 33CO 3H2 4CO2 60N2]; boundaryField { diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/couplingProperties b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/couplingProperties index 73976bd9..0ef093f4 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/couplingProperties +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/couplingProperties @@ -42,9 +42,9 @@ IOModel basicIO; probeModel off; -dataExchangeModel twoWayMPI;//twoWayM2M;//twoWayFiles;//oneWayVTK;// +dataExchangeModel twoWayMPI; -averagingModel dilute; //dense;//// +averagingModel dilute; //dense;// clockModel off;//standardClock; @@ -84,8 +84,8 @@ turbulenceModelType "turbulenceProperties";//"LESProperties";// // sub-model properties reactionHeatProps { - reactionHeatName "reactionHeat"; - verbose false; + reactionHeatName "reactionHeat"; + verbose false; } heatTransferGunnProps @@ -325,7 +325,7 @@ engineProps turboEngineProps { - treeSearch true; + treeSearch true; } turboEngineM2MProps diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/system/probesDict b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/system/probesDict index 2fbb1410..650dd353 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/system/probesDict +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/system/probesDict @@ -1,16 +1,16 @@ /*--------------------------------*- C++ -*----------------------------------*\ | ========= | | -| \ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \ / O peration | Version: 2.1.x | -| \ / A nd | Web: www.OpenFOAM.org | -| \/ M anipulation | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.1.x | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | \*---------------------------------------------------------------------------*/ FoamFile { - version 2.0; - format ascii; - class dictionary; - object probesDict; + version 2.0; + format ascii; + class dictionary; + object probesDict; } // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // @@ -18,25 +18,25 @@ FoamFile fields ( - rho - p - T - Cpv - N2 - CO2 - CO - H2 - H2O - ModSpeciesMassField_N2 - ModSpeciesMassField_CO2 - ModSpeciesMassField_CO - ModSpeciesMassField_H2 - ModSpeciesMassField_H2O - X_CO - X_CO2 - X_H2 - X_N2 - X_H2O + rho + p + T + Cpv + N2 + CO2 + CO + H2 + H2O + ModSpeciesMassField_N2 + ModSpeciesMassField_CO2 + ModSpeciesMassField_CO + ModSpeciesMassField_H2 + ModSpeciesMassField_H2O + X_CO + X_CO2 + X_H2 + X_N2 + X_H2O ); writeControl timeStep; diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/README b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/README index edb774ab..098b9828 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/README +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/README @@ -2,4 +2,4 @@ NOTICE::VALIPOUR CORRELATION FOR KEQ VALIPOUR VALUES FOR Ea INCREASE DEM TS TO 0.01 H2 REDUCTION IS ALSO CONSIDERED. - + From d5b12a5e3083cff19338f61e92b9c99a3f2f32a7 Mon Sep 17 00:00:00 2001 From: Daniel Queteschiner Date: Thu, 19 Sep 2019 12:24:02 +0200 Subject: [PATCH 77/92] delete temporary file and clean up whitespaces --- .../33CO3H2_Hematite/CFD/0/CO | 8 +- .../33CO3H2_Hematite/CFD/0/CO2 | 8 +- .../33CO3H2_Hematite/CFD/0/H2 | 8 +- .../33CO3H2_Hematite/CFD/0/H2O | 4 +- .../33CO3H2_Hematite/CFD/0/N2 | 2 +- .../33CO3H2_Hematite/CFD/0/T | 4 +- .../33CO3H2_Hematite/CFD/0/U | 6 +- .../33CO3H2_Hematite/CFD/0/rho | 2 +- .../33CO3H2_Hematite/CFD/0/voidfraction | 2 +- .../CFD/constant/combustionProperties | 2 +- .../CFD/constant/couplingProperties | 58 ++++-------- .../33CO3H2_Hematite/CFD/constant/foam.dat | 4 +- .../33CO3H2_Hematite/CFD/constant/foam.inp | 10 +-- .../CFD/constant/polyMesh/.blockMeshDict.swp | Bin 1024 -> 0 bytes .../CFD/constant/polyMesh/cylinderMesh.m4 | 12 +-- .../CFD/constant/thermophysicalProperties | 14 +-- .../CFD/constant/transportProperties | 8 +- .../33CO3H2_Hematite/CFD/system/controlDict | 84 +++++++++--------- .../33CO3H2_Hematite/CFD/system/fvOptions | 2 +- .../33CO3H2_Hematite/CFD/system/fvSchemes | 36 ++++---- .../33CO3H2_Hematite/CFD/system/fvSolution | 38 ++++---- .../33CO3H2_Hematite/CFD/system/probesDict | 60 ++++++------- .../33CO3H2_Hematite/DEM/in.liggghts_init | 9 +- .../33CO3H2_Hematite/DEM/in.liggghts_run | 79 ++++++++-------- .../33CO3H2_Hematite/README | 2 +- 25 files changed, 223 insertions(+), 239 deletions(-) delete mode 100644 tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/constant/polyMesh/.blockMeshDict.swp diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/0/CO b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/0/CO index 68972e76..07c5ce59 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/0/CO +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/0/CO @@ -17,7 +17,7 @@ FoamFile dimensions [0 0 0 0 0 0 0]; -internalField uniform 0.3316298524; +internalField uniform 0.3316298524; boundaryField { @@ -38,13 +38,13 @@ boundaryField inlet { - type fixedValue; - value uniform 0.3316298524; + type fixedValue; + value uniform 0.3316298524; } outlet { - type zeroGradient; + type zeroGradient; } } diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/0/CO2 b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/0/CO2 index 463f032a..5b26299b 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/0/CO2 +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/0/CO2 @@ -17,7 +17,7 @@ FoamFile dimensions [0 0 0 0 0 0 0]; -internalField uniform 0.0631593903; // 4%; +internalField uniform 0.0631593903; // 4%; boundaryField { @@ -38,13 +38,13 @@ boundaryField inlet { - type fixedValue; - value uniform 0.0631593903; + type fixedValue; + value uniform 0.0631593903; } outlet { - type zeroGradient; + type zeroGradient; } } diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/0/H2 b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/0/H2 index c17c6c21..1e3e7cda 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/0/H2 +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/0/H2 @@ -17,7 +17,7 @@ FoamFile dimensions [0 0 0 0 0 0 0]; -internalField uniform 0.0021741985; +internalField uniform 0.0021741985; boundaryField { @@ -38,13 +38,13 @@ boundaryField inlet { - type fixedValue; - value uniform 0.0021741985; + type fixedValue; + value uniform 0.0021741985; } outlet { - type zeroGradient; + type zeroGradient; } } diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/0/H2O b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/0/H2O index ca8df421..d05b03b2 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/0/H2O +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/0/H2O @@ -38,12 +38,12 @@ boundaryField inlet { - type zeroGradient; + type zeroGradient; } outlet { - type zeroGradient; + type zeroGradient; } } diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/0/N2 b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/0/N2 index 18e67099..2d82f511 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/0/N2 +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/0/N2 @@ -39,7 +39,7 @@ boundaryField inlet { type fixedValue; - value uniform 0.6030365588; + value uniform 0.6030365588; } outlet diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/0/T b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/0/T index 02b5cb3b..cbc85280 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/0/T +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/0/T @@ -17,7 +17,7 @@ FoamFile dimensions [0 0 0 1 0 0 0]; -internalField uniform 1223.15; // 950 + 273.15 +internalField uniform 1223.15; // 950 + 273.15 boundaryField { @@ -39,7 +39,7 @@ boundaryField inlet { type fixedValue; - value uniform 1223.15; + value uniform 1223.15; } outlet diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/0/U b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/0/U index 047777bd..f50a655f 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/0/U +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/0/U @@ -23,15 +23,15 @@ boundaryField { top { - type zeroGradient; + type zeroGradient; } bottom { - type zeroGradient; + type zeroGradient; } side-walls { - type zeroGradient; + type zeroGradient; } inlet { diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/0/rho b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/0/rho index dafa6a48..54176686 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/0/rho +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/0/rho @@ -16,7 +16,7 @@ FoamFile dimensions [1 -3 0 0 0 0 0]; -internalField uniform 1.2415; // [for 33CO 3H2 4CO2 60N2]; +internalField uniform 1.2415; // [for 33CO 3H2 4CO2 60N2]; boundaryField { diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/0/voidfraction b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/0/voidfraction index 3126fb49..6f3a5b0b 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/0/voidfraction +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/0/voidfraction @@ -39,7 +39,7 @@ boundaryField inlet { type fixedValue; - value $internalField; + value $internalField; } outlet diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/constant/combustionProperties b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/constant/combustionProperties index 487421c2..c5b934a4 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/constant/combustionProperties +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/constant/combustionProperties @@ -20,7 +20,7 @@ combustionModel noCombustion; //PaSR@tMCfGmgb^XDTZf3vsT z(l%p9mL;>=?2@EYmJ2mA7v#jHEru?VTY$bcNHPc$4f&-wms1ziJFV<9H9SQ0X~qt0 zfY?X!it7O4(W1GLexbigs+4gWbBP8j?xPYKYh~*b4dXTtWJBaOf+PJdF-T}MiEdPd S5^?#ub+RV#_X*s8Kl}ik6Ffcu diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/constant/polyMesh/cylinderMesh.m4 b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/constant/polyMesh/cylinderMesh.m4 index 6df74167..f04f75be 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/constant/polyMesh/cylinderMesh.m4 +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/constant/polyMesh/cylinderMesh.m4 @@ -59,7 +59,7 @@ define(vlabel, [[// ]Vertex $1 = VCOUNT define($1, VCOUNT)define([VCOUNT], incr( (-CX L CZ) vlabel(sevenoclockct) (-CX L -CZ) vlabel(elevenoclockct) ( CX L -CZ) vlabel(oneoclockct) - ); + ); blocks ( @@ -81,11 +81,11 @@ define(vlabel, [[// ]Vertex $1 = VCOUNT define($1, VCOUNT)define([VCOUNT], incr( //slice2 hex ( - sevenoclocksqb elevenoclocksqb elevenoclockcb sevenoclockcb - sevenoclocksqt elevenoclocksqt elevenoclockct sevenoclockct + sevenoclocksqb elevenoclocksqb elevenoclockcb sevenoclockcb + sevenoclocksqt elevenoclocksqt elevenoclockct sevenoclockct ) (NPS NPD NPY) -simpleGrading (1 1 1) + simpleGrading (1 1 1) //slice3 hex ( @@ -93,7 +93,7 @@ simpleGrading (1 1 1) elevenoclocksqt oneoclocksqt oneoclockct elevenoclockct ) (NPS NPD NPY) -simpleGrading (1 1 1) + simpleGrading (1 1 1) //slice4 hex ( @@ -101,7 +101,7 @@ simpleGrading (1 1 1) oneoclocksqt fiveoclocksqt fiveoclockct oneoclockct ) (NPS NPD NPY) -simpleGrading (1 1 1) + simpleGrading (1 1 1) ); diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/constant/thermophysicalProperties b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/constant/thermophysicalProperties index 7f498e00..003de212 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/constant/thermophysicalProperties +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/constant/thermophysicalProperties @@ -17,12 +17,12 @@ FoamFile thermoType { - type heRhoThermo; //hePsiThermo; // - mixture reactingMixture; //species and reactions are listed in chemistry file - transport const; //sutherland; //calcualtes viscosity as a function of temperature from Stuherland coefficient As and Ts - thermo hConst; //janaf; - equationOfState perfectGas; - energy sensibleInternalEnergy; //sensibleEnthalpy; //uses enthaly in the solution + type heRhoThermo; //hePsiThermo; // + mixture reactingMixture; //species and reactions are listed in chemistry file + transport const; //sutherland; //calcualtes viscosity as a function of temperature from Stuherland coefficient As and Ts + thermo hConst; //janaf; + equationOfState perfectGas; + energy sensibleInternalEnergy; //sensibleEnthalpy; specie specie; } @@ -32,6 +32,6 @@ foamChemistryThermoFile "$casePath/CFD/constant/foam.dat"; foamChemistryFile "$casePath/CFD/constant/foam.inp"; -inertSpecie N2; +inertSpecie N2; // ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/constant/transportProperties b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/constant/transportProperties index 66bf1c22..269b160e 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/constant/transportProperties +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/constant/transportProperties @@ -17,15 +17,15 @@ FoamFile transportModel Newtonian; -nu nu [ 0 2 -1 0 0 0 0 ] 1.4117e-05; // kinematic viscosity of gas mixture +nu nu [ 0 2 -1 0 0 0 0 ] 1.4117e-05; // kinematic viscosity of gas mixture -kf kf [ 1 1 -3 -1 0 0 0 ] 0.0507; // comes from energy model +kf kf [ 1 1 -3 -1 0 0 0 ] 0.0507; // comes from energy model -Cp Cp [ 0 2 -2 -1 0 0 0 ] 1118.15; // comes from energy model +Cp Cp [ 0 2 -2 -1 0 0 0 ] 1118.15; // comes from energy model // ******* Non-Newtonian transport properties ************************ // -/*CrossPowerLawCoeffs +/*CrossPowerLawCoeffs { nu0 nu0 [ 0 2 -1 0 0 0 0 ] 1e-06; nuInf nuInf [ 0 2 -1 0 0 0 0 ] 1e-06; diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/system/controlDict b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/system/controlDict index 128cc774..df901edf 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/system/controlDict +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/system/controlDict @@ -29,7 +29,7 @@ deltaT 1; writeControl timeStep; -writeInterval 50; +writeInterval 50; purgeWrite 10; @@ -61,54 +61,56 @@ functions { moleFrac { - type rhoReactionThermoMoleFractions; - } - + type rhoReactionThermoMoleFractions; + } + probes1 { - type probes; + type probes; + functionObjectLibs ("libsampling.so"); - #include "probesDict"; + + #include "probesDict"; } fieldMinMax_T { - type fieldMinMax; - libs ("libfieldFunctionObjects.so"); - fields (T); - // Report the location of the field extrema - location yes; - // Type of extrema for rank > 0 primitives - mode magnitude; // magnitude | component - } - - fieldMinMax_Cpv - { - type fieldMinMax; - libs ("libfieldFunctionObjects.so"); - fields (Cpv); - // Report the location of the field extrema - location yes; - // Type of extrema for rank > 0 primitives - mode magnitude; // magnitude | component - } - - fieldMinMax_partTemp - { - type fieldMinMax; - libs ("libfieldFunctionObjects.so"); - fields (partTemp); - location yes; - mode magnitude; + type fieldMinMax; + libs ("libfieldFunctionObjects.so"); + fields (T); + // Report the location of the field extrema + location yes; + // Type of extrema for rank > 0 primitives + mode magnitude; // magnitude | component } + fieldMinMax_Cpv + { + type fieldMinMax; + libs ("libfieldFunctionObjects.so"); + fields (Cpv); + // Report the location of the field extrema + location yes; + // Type of extrema for rank > 0 primitives + mode magnitude; // magnitude | component + } + + fieldMinMax_partTemp + { + type fieldMinMax; + libs ("libfieldFunctionObjects.so"); + fields (partTemp); + location yes; + mode magnitude; + } + globalMassFrac - { + { type volRegion; libs ("libfieldFunctionObjects.so"); - writeControl timeStep;//outputTime; - writeInterval 1; + writeControl timeStep;//outputTime; + writeInterval 1; log true; writeFields false; regionType all; @@ -122,14 +124,14 @@ functions CO N2 H2O - ); - } + ); + } globalMass - { + { type volRegion; libs ("libfieldFunctionObjects.so"); - writeControl timeStep;//outputTime; + writeControl timeStep;//outputTime; writeInterval 1; log true; writeFields false; @@ -142,6 +144,6 @@ functions rho ); } -} +} // ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/system/fvOptions b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/system/fvOptions index 9536c869..fd3e0929 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/system/fvOptions +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/system/fvOptions @@ -25,6 +25,6 @@ limitedTemperature Tmin 1200; Tmax 2500; } -} +} diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/system/fvSchemes b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/system/fvSchemes index a819f794..94b25f7e 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/system/fvSchemes +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/system/fvSchemes @@ -25,36 +25,36 @@ gradSchemes default Gauss linear; grad(p) cellMDLimited leastSquares 0.5; grad(U) cellMDLimited leastSquares 0.5; //cellLimited Gauss linear 1; // - grad(h) cellMDLimited leastSquares 0.5; - grad(e) cellMDLimited leastSquares 0.5; + grad(h) cellMDLimited leastSquares 0.5; + grad(e) cellMDLimited leastSquares 0.5; } divSchemes { default Gauss linear; - div(phi,U) Gauss limitedLinear 1; //Gauss linear; //Gauss limitedLinear 1; // //Gauss limitedLinearV 1; // - div(phid,p) Gauss limitedLinear 1; //Gauss upwind; //Gauss limitedLinearV 1; - div(phi,K) Gauss limitedLinear 1; - div(phi,h) Gauss limitedLinear 1; //Gauss upwind; - div(phi,k) Gauss limitedLinear 1; //Gauss upwind; - div(phi,epsilon) Gauss limitedLinear 1; //Gauss upwind; + div(phi,U) Gauss limitedLinear 1; //Gauss linear; //Gauss limitedLinearV 1; + div(phid,p) Gauss limitedLinear 1; //Gauss upwind; //Gauss limitedLinearV 1; + div(phi,K) Gauss limitedLinear 1; + div(phi,h) Gauss limitedLinear 1; //Gauss upwind; + div(phi,k) Gauss limitedLinear 1; //Gauss upwind; + div(phi,epsilon) Gauss limitedLinear 1; //Gauss upwind; div(U) Gauss limitedLinear 1; - div(phi,Yi_h) Gauss multivariateSelection - { - CO limitedLinear01 1; - H2 limitedLinear01 1; - N2 limitedLinear01 1; - H2O limitedLinear01 1; + div(phi,Yi_h) Gauss multivariateSelection + { + CO limitedLinear01 1; + H2 limitedLinear01 1; + N2 limitedLinear01 1; + H2O limitedLinear01 1; CO2 limitedLinear01 1; - h limitedLinear 1; + h limitedLinear 1; e limitedLinear 1; - } - // div((muEff*dev2(T(grad(U))))) Gauss linear; + } + //div((muEff*dev2(T(grad(U))))) Gauss linear; div((viscousTerm*dev2(grad(U).T()))) Gauss linear; div((thermo:mu*dev(grad(U).T()))) Gauss linear; div((nuEff*dev2(T(grad(U))))) Gauss linear; - div(phi,T) Gauss limitedLinear 1; + div(phi,T) Gauss limitedLinear 1; } laplacianSchemes diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/system/fvSolution b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/system/fvSolution index 9976d4cd..2ebb617d 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/system/fvSolution +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/system/fvSolution @@ -41,27 +41,27 @@ solvers tolerance 1e-06; relTol 0; } - + "(rho|G)" { solver PCG; preconditioner DIC; tolerance 1e-6; relTol 0.01; - /*solver smoothSolver; - smoother symGaussSeidel; - tolerance 1e-6; - relTol 0.1; - nSweeps 3;*/ + /*solver smoothSolver; + smoother symGaussSeidel; + tolerance 1e-6; + relTol 0.1; + nSweeps 3;*/ } - + "(rho|G)Final" { - $rho; + $rho; tolerance 1e-06; relTol 0; } - + "(U|h|e|R|k|epsilon)" { solver smoothSolver; @@ -76,14 +76,14 @@ solvers tolerance 1e-05; relTol 0; } - + "(Yi|CO|CO2|H2|H2O|N2)" { solver smoothSolver; smoother symGaussSeidel; tolerance 1e-06; relTol 0.01; - maxIter 100; + maxIter 100; } "(Yi|CO|CO2|H2|H2O|N2)Final" @@ -91,9 +91,9 @@ solvers $Yi; tolerance 1e-06; relTol 0; - maxIter 100; + maxIter 100; } - + T { solver PBiCG; @@ -109,22 +109,22 @@ PIMPLE nOuterCorrectors 5; nCorrectors 2; nNonOrthogonalCorrectors 0; - rhoMin rhoMin [ 1 -3 0 0 0 ] 0.4; - rhoMax rhoMax [ 1 -3 0 0 0 ] 2.0; + rhoMin rhoMin [ 1 -3 0 0 0 ] 0.4; + rhoMax rhoMax [ 1 -3 0 0 0 ] 2.0; } relaxationFactors { fields { - T 0.5; - "(Yi|CO|CO2|H2|H2O|N2)" 0.6; - p 0.6; + T 0.5; + "(Yi|CO|CO2|H2|H2O|N2)" 0.6; + p 0.6; } equations { ".*" 0.8; - "(h|e).*" 0.5; + "(h|e).*" 0.5; } } diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/system/probesDict b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/system/probesDict index 71cf7611..650dd353 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/system/probesDict +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/system/probesDict @@ -1,16 +1,16 @@ /*--------------------------------*- C++ -*----------------------------------*\ | ========= | | -| \ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \ / O peration | Version: 2.1.x | -| \ / A nd | Web: www.OpenFOAM.org | -| \/ M anipulation | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.1.x | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | \*---------------------------------------------------------------------------*/ FoamFile { - version 2.0; - format ascii; - class dictionary; - object probesDict; + version 2.0; + format ascii; + class dictionary; + object probesDict; } // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // @@ -18,25 +18,25 @@ FoamFile fields ( - rho - p - T - Cpv - N2 - CO2 - CO - H2 - H2O - ModSpeciesMassField_N2 - ModSpeciesMassField_CO2 - ModSpeciesMassField_CO - ModSpeciesMassField_H2 - ModSpeciesMassField_H2O - X_CO - X_CO2 - X_H2 - X_N2 - X_H2O + rho + p + T + Cpv + N2 + CO2 + CO + H2 + H2O + ModSpeciesMassField_N2 + ModSpeciesMassField_CO2 + ModSpeciesMassField_CO + ModSpeciesMassField_H2 + ModSpeciesMassField_H2O + X_CO + X_CO2 + X_H2 + X_N2 + X_H2O ); writeControl timeStep; @@ -46,9 +46,9 @@ writeInterval 50; // Locations to be probed. probeLocations ( - (7.0 2.5 2.5) - (8.0 2.5 2.5) - (1.0 2.5 2.5) + (7.0 2.5 2.5) + (8.0 2.5 2.5) + (1.0 2.5 2.5) ); // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/DEM/in.liggghts_init b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/DEM/in.liggghts_init index 30fee690..161b494d 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/DEM/in.liggghts_init +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/DEM/in.liggghts_init @@ -24,7 +24,7 @@ fix m3 all property/global coefficientRestitution peratomtypepair 1 0.3 fix m4 all property/global coefficientFriction peratomtypepair 1 0.5 # pair style -pair_style gran model hertz tangential history # Hertzian without cohesion +pair_style gran model hertz tangential history pair_coeff * * # timestep, gravity @@ -45,7 +45,7 @@ set atom 1 diameter 0.01106028 density 4300 vx 0 vy 0 vz 0 # screen output compute rke all erotate/sphere -thermo_style custom step atoms ke c_rke vol +thermo_style custom step atoms ke c_rke vol thermo 1000 thermo_modify lost ignore norm no compute_modify thermo_temp dynamic yes @@ -54,5 +54,6 @@ compute_modify thermo_temp dynamic yes run 1 dump dmp all custom 100 post/dump.liggghts_init id type x y z vx vy vz fx fy fz radius mass -run 10 upto -write_restart post/restart/liggghts.restart +run 10 upto + +write_restart ../DEM/post/restart/liggghts.restart diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/DEM/in.liggghts_run b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/DEM/in.liggghts_run index c5a4fc86..768b1abf 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/DEM/in.liggghts_run +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/DEM/in.liggghts_run @@ -1,4 +1,4 @@ -# Pour granular particles into chute container, then induce flow +# chemistry test case log ../DEM/log.liggghts thermo_log ../DEM/post/thermo.txt @@ -26,7 +26,7 @@ fix m3 all property/global coefficientRestitution peratomtypepair 1 0.3 fix m4 all property/global coefficientFriction peratomtypepair 1 0.5 # pair style -pair_style gran model hertz tangential history # Hertzian without cohesion +pair_style gran model hertz tangential history pair_coeff * * # timestep, gravity @@ -42,8 +42,8 @@ fix zwalls1 all wall/gran model hertz tangential history primitive type 1 zp fix zwalls2 all wall/gran model hertz tangential history primitive type 1 zplane 0.5 # Thermal properties -fix ftco all property/global thermalConductivity peratomtype 1.4 -fix ftca all property/global thermalCapacity peratomtype 3000 +fix ftco all property/global thermalConductivity peratomtype 1.4 +fix ftca all property/global thermalCapacity peratomtype 3000 ############################################### @@ -52,7 +52,7 @@ fix cfd all couple/cfd couple_every 50 mpi fix cfd2 all couple/cfd/force # this one invokes heat transfer calculation, transfers per-particle temperature and adds convective heat flux to particles -fix tconv all couple/cfd/convection T0 1221 +fix tconv all couple/cfd/convection T0 1221 # this should invoke chemistry fix cfd3 all couple/cfd/chemistry n_species 5 species_names H2 H2O CO CO2 N2 n_diff 2 diffusant_names CO H2 @@ -65,33 +65,34 @@ fix cfd6 all chem/shrink/core speciesA H2 molMassA 0.00202 speciesC H2O molM fix k0_CO all property/atom k0_cfd5 vector yes no no 17 25 2700 fix Ea_CO all property/atom Ea_cfd5 vector yes no no 69488 73674 113859 -fix k0_H2 all property/atom k0_cfd6 vector yes no no 30 23 160 -fix Ea_H2 all property/atom Ea_cfd6 vector yes no no 63627 71162 92092 +fix k0_H2 all property/atom k0_cfd6 vector yes no no 30 23 160 +fix Ea_H2 all property/atom Ea_cfd6 vector yes no no 63627 71162 92092 # particle porosity/tortuosity/pore diameter -fix porosity all property/atom porosity_ vector yes no no 0.65 0.31 0.16 0.15 -fix tortuosity all property/global tortuosity_ scalar 3 -fix pore_diameter all property/global pore_diameter_ scalar 7e-7 +fix porosity all property/atom porosity_ vector yes no no 0.65 0.31 0.16 0.15 +fix tortuosity all property/global tortuosity_ scalar 3 +fix pore_diameter all property/global pore_diameter_ scalar 7e-7 # define layer properties fix LayerRelRadii all property/atom relRadii vector yes no no 1.0 0.998 0.995 0.98 ### define fix for mass layer - initial testing -fix LayerMasses all property/atom massLayer vector yes no no 0. 0. 0. 0. -fix LayerDennsities all property/global density_all vector 7870. 5740. 5170. 5240. +fix LayerMasses all property/atom massLayer vector yes no no 0. 0. 0. 0. +fix LayerDennsities all property/global density_all vector 7870. 5740. 5170. 5240. ## define fix for rho_eff and fracRed - initialize as zero -fix fracRed all property/atom fracRed_all vector yes no no 0. 0. 0. -fix rhoeff all property/atom rhoeff vector yes no no 0. 0. 0. 0. +fix fracRed all property/atom fracRed_all vector yes no no 0. 0. 0. +fix rhoeff all property/atom rhoeff vector yes no no 0. 0. 0. 0. ############### # Write data into files for post-processing -variable WI equal 10 -variable time equal time -variable m1 equal mass[1] -variable rp equal radius[1] -variable rho1 equal mass[1]/((4/3)*PI*radius[1]*radius[1]*radius[1]) +variable WI equal 10 +variable time equal time +variable m1 equal mass[1] +variable rp equal radius[1] +variable rho1 equal mass[1]/((4/3)*PI*radius[1]*radius[1]*radius[1]) + fix printmass all print ${WI} "${time} ${m1} ${rho1} ${rp}" file mass_rho_rad.txt title "#time mass rho rad_par" # compute kinetic energy of particles to see if they are moving changing @@ -99,16 +100,16 @@ compute KinEn all ke variable ke_tot equal c_KinEn # print total kinetic energy -fix printCompute all print ${WI} "${time} ${ke_tot}" file printKE.txt title "#time ke_tot" +fix printCompute all print ${WI} "${time} ${ke_tot}" file printKE.txt title "#time ke_tot" compute Ea_CO all reduce sum f_Ea_CO[1] f_Ea_CO[2] f_Ea_CO[3] -fix Ea all ave/time 1 1 1 c_Ea_CO[1] c_Ea_CO[2] c_Ea_CO[3] -variable Ea1 equal f_Ea[1] -variable Ea2 equal f_Ea[2] -variable Ea3 equal f_Ea[3] +fix Ea all ave/time 1 1 1 c_Ea_CO[1] c_Ea_CO[2] c_Ea_CO[3] +variable Ea1 equal f_Ea[1] +variable Ea2 equal f_Ea[2] +variable Ea3 equal f_Ea[3] compute k0CO all reduce sum f_k0_CO[1] f_k0_CO[2] f_k0_CO[3] -fix k0 all ave/time 1 1 1 c_k0CO[1] c_k0CO[2] c_k0CO[3] +fix k0 all ave/time 1 1 1 c_k0CO[1] c_k0CO[2] c_k0CO[3] variable k01 equal f_k0[1] variable k02 equal f_k0[2] variable k03 equal f_k0[3] @@ -120,28 +121,28 @@ fix printk0Ea all print ${WI} "${time} ${Ea1} ${Ea2} ${Ea3} ${k01} ${k02} ${k03} # Diffusion Coefficient for CO and H2 compute COdiff all reduce sum f_CO_diffCoeff -fix diffField_CO all ave/time 1 1 1 c_COdiff +fix diffField_CO all ave/time 1 1 1 c_COdiff variable CO_diffCo equal f_diffField_CO -fix printDCoeff all print ${WI} "${time} ${CO_diffCo}" file DiffCoeff.dat title "#time CO_diffCoeff" +fix printDCoeff all print ${WI} "${time} ${CO_diffCo}" file DiffCoeff.dat title "#time CO_diffCoeff" ############### # Specific Resistance terms depending on reacting gases compute ACOd1 all reduce sum f_Aterm_cfd5[1] f_Aterm_cfd5[2] f_Aterm_cfd5[3] -fix ACOd1 all ave/time 1 1 1 c_ACOd1[1] c_ACOd1[2] c_ACOd1[3] +fix ACOd1 all ave/time 1 1 1 c_ACOd1[1] c_ACOd1[2] c_ACOd1[3] variable a_CO_1 equal f_ACOd1[1] variable a_CO_2 equal f_ACOd1[2] variable a_CO_3 equal f_ACOd1[3] compute BCOd1 all reduce sum f_Bterm_cfd5[1] f_Bterm_cfd5[2] f_Bterm_cfd5[3] -fix BCOd1 all ave/time 10 1 10 c_BCOd1[1] c_BCOd1[2] c_BCOd1[3] +fix BCOd1 all ave/time 10 1 10 c_BCOd1[1] c_BCOd1[2] c_BCOd1[3] variable b_CO_1 equal f_BCOd1[1] variable b_CO_2 equal f_BCOd1[2] variable b_CO_3 equal f_BCOd1[3] compute MCOd1 all reduce sum f_Massterm_cfd5 -fix MTCOd1 all ave/time 10 1 10 c_MCOd1 +fix MTCOd1 all ave/time 10 1 10 c_MCOd1 variable mt_CO equal f_MTCOd1 fix printAterm all print ${WI} "${time} ${a_CO_1} ${a_CO_2} ${a_CO_3}" file Aterm.dat title "#time a_CO_1 aCO_2 a_CO_3" @@ -155,7 +156,7 @@ fix printMassTerm all print ${WI} "${time} ${mt_CO}" file MassTerm.dat title "#t ############### # print out rate change of mass for gaseous reactant compute dmdot all reduce sum f_dmA_cfd5[1] f_dmA_cfd5[2] f_dmA_cfd5[3] -fix dmA_val all ave/time 1 1 1 c_dmdot[1] c_dmdot[2] c_dmdot[3] +fix dmA_val all ave/time 1 1 1 c_dmdot[1] c_dmdot[2] c_dmdot[3] variable dmdot_1 equal f_dmA_val[1] variable dmdot_2 equal f_dmA_val[2] variable dmdot_3 equal f_dmA_val[3] @@ -163,7 +164,7 @@ variable dmdot_3 equal f_dmA_val[3] fix printdmdot all print ${WI} "${time} ${dmdot_1} ${dmdot_2} ${dmdot_3}" file dmdot.dat title "#time dmdot_1 dmdot_2 dmdot_3" compute dmdot_H2 all reduce sum f_dmA_cfd6[1] f_dmA_cfd6[2] f_dmA_cfd6[3] -fix dmA_valH2 all ave/time 1 1 1 c_dmdot_H2[1] c_dmdot_H2[2] c_dmdot_H2[3] +fix dmA_valH2 all ave/time 1 1 1 c_dmdot_H2[1] c_dmdot_H2[2] c_dmdot_H2[3] variable dmdot_H2_1 equal f_dmA_valH2[1] variable dmdot_H2_2 equal f_dmA_valH2[2] variable dmdot_H2_3 equal f_dmA_valH2[3] @@ -171,7 +172,7 @@ variable dmdot_H2_3 equal f_dmA_valH2[3] fix printdmdotH2 all print ${WI} "${time} ${dmdot_H2_1} ${dmdot_H2_2} ${dmdot_H2_3}" file dmdotH2.dat title "#time dmdot_1 dmdot_2 dmdot_3" compute fr_1 all reduce sum f_fracRed[1] f_fracRed[2] f_fracRed[3] -fix fr_d1 all ave/time 1 1 1 c_fr_1[1] c_fr_1[2] c_fr_1[3] +fix fr_d1 all ave/time 1 1 1 c_fr_1[1] c_fr_1[2] c_fr_1[3] variable fr_d1_1 equal f_fr_d1[1] variable fr_d1_2 equal f_fr_d1[2] variable fr_d1_3 equal f_fr_d1[3] @@ -183,20 +184,20 @@ fix printfr1 all print ${WI} "${time} ${fr_d1_1} ${fr_d1_2} ${fr_d1_3} ${frOV_d1 ############################################### ## Check Layer Radii and Write them to files ### -compute layerRad1 all reduce sum f_LayerRelRadii[1] -fix redRad1 all ave/time 1 1 1 c_layerRad1 +compute layerRad1 all reduce sum f_LayerRelRadii[1] +fix redRad1 all ave/time 1 1 1 c_layerRad1 variable rr1 equal f_redRad1 compute layerRad2 all reduce sum f_LayerRelRadii[2] -fix redRad2 all ave/time 1 1 1 c_layerRad2 +fix redRad2 all ave/time 1 1 1 c_layerRad2 variable rr2 equal f_redRad2 compute layerRad3 all reduce sum f_LayerRelRadii[3] -fix redRad3 all ave/time 1 1 1 c_layerRad3 +fix redRad3 all ave/time 1 1 1 c_layerRad3 variable rr3 equal f_redRad3 compute layerRad4 all reduce sum f_LayerRelRadii[4] -fix redRad4 all ave/time 1 1 1 c_layerRad4 +fix redRad4 all ave/time 1 1 1 c_layerRad4 variable rr4 equal f_redRad4 fix printRelRadii all print ${WI} "${time} ${rr1} ${rr2} ${rr3} ${rr4}" file relRadii.dat title "#time relRad_1 relRad_2 relRad_3 relRad_4" @@ -209,5 +210,5 @@ thermo 10 thermo_modify lost ignore norm no compute_modify thermo_temp dynamic yes -dump dmp all custom 100 ../DEM/post/dump*.liggghts_run id type x y z vx vy vz fx fy fz radius mass f_fracRed[1] f_fracRed[2] f_fracRed[3] +dump dmp all custom 100 ../DEM/post/dump*.liggghts_run id type x y z vx vy vz fx fy fz radius mass f_fracRed[1] f_fracRed[2] f_fracRed[3] run 1 diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/README b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/README index edb774ab..098b9828 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/README +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/README @@ -2,4 +2,4 @@ NOTICE::VALIPOUR CORRELATION FOR KEQ VALIPOUR VALUES FOR Ea INCREASE DEM TS TO 0.01 H2 REDUCTION IS ALSO CONSIDERED. - + From faba96f750ff7e99182343d3a00de053a09bedd1 Mon Sep 17 00:00:00 2001 From: Daniel Queteschiner Date: Thu, 19 Sep 2019 12:24:33 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zOWB}Fs#JHOT(H&JzI~0Fxqs!v%`5Vo8f1&E_UDvP+#~y3`bd`Q&J>WPh^d-3nP ze*7BNWaWoQvQ`krhoR_&9wve^vS0`;tRTRLGRRbxw4YHw$QA(N5hm~!;vcNWV66-* zITn_u)JfH+ zJe3TT43rF%43rF%43rG~PZ^-4x!gjHn3JVn*~Dg*eCpiBpmLvHexssVm{_p8N~I*9 zmGk?3@GX)4WA;lCRk=?uwLbL;yWFQ&*fyJO_A2-3?YOryM-s)G$B6zOLQ0{{m$vAu|8~ From a854a89116c066d4d9a3f0a91ed28801cc63def6 Mon Sep 17 00:00:00 2001 From: Daniel Queteschiner Date: Thu, 19 Sep 2019 12:28:50 +0200 Subject: [PATCH 79/92] clean up whitespaces and comments --- .../GOD0k1_Hematite/Allrun.sh | 7 +- .../GOD0k1_Hematite/CFD/0/CO | 8 +- .../GOD0k1_Hematite/CFD/0/CO2 | 4 +- .../GOD0k1_Hematite/CFD/0/N2 | 2 +- .../GOD0k1_Hematite/CFD/0/T | 4 +- .../GOD0k1_Hematite/CFD/0/U | 6 +- .../GOD0k1_Hematite/CFD/0/Us | 2 +- .../GOD0k1_Hematite/CFD/0/voidfraction | 2 +- .../CFD/constant/combustionProperties | 2 +- .../CFD/constant/couplingProperties | 49 ++++------ .../GOD0k1_Hematite/CFD/constant/foam.dat | 5 +- .../GOD0k1_Hematite/CFD/constant/foam.inp | 6 +- .../CFD/constant/polyMesh/cylinderMesh.m4 | 56 ++++++------ .../CFD/constant/thermophysicalProperties | 14 +-- .../CFD/constant/transportProperties | 14 +-- .../GOD0k1_Hematite/CFD/system/controlDict | 91 ++++++++++--------- .../CFD/system/decomposeParDict | 1 - .../GOD0k1_Hematite/CFD/system/fvOptions | 2 +- .../GOD0k1_Hematite/CFD/system/fvSchemes | 34 +++---- .../GOD0k1_Hematite/CFD/system/fvSolution | 40 ++++---- .../GOD0k1_Hematite/CFD/system/probesDict | 46 +++++----- .../GOD0k1_Hematite/DEM/in.liggghts_init | 10 +- .../GOD0k1_Hematite/DEM/in.liggghts_run | 78 ++++++++-------- .../GOD0k1_Hematite/parCFDDEMrun.sh | 5 +- .../GOD0k1_Hematite/parDEMrun.sh | 5 +- 25 files changed, 242 insertions(+), 251 deletions(-) diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/Allrun.sh b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/Allrun.sh index 5c5cfbbc..0c4e9bba 100755 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/Allrun.sh +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/Allrun.sh @@ -1,9 +1,8 @@ #!/bin/bash #===================================================================# -# allrun script for testcase as part of test routine -# run settlingTest -# Christoph Goniva - Sept. 2010 +# allrun script for testcase +# M. Efe Kinaci - Sep 2018 #===================================================================# #- source CFDEM env vars @@ -33,7 +32,7 @@ else blockMesh fi -if [ -f "$casePath/DEM/post/restart/liggghts.restart" ]; then +if [ -f "$casePath/DEM/post/restart/liggghts.restart" ]; then echo "LIGGGHTS init was run before - using existing restart file" else #- run DEM in new terminal diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/0/CO b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/0/CO index c400c817..cbd11c21 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/0/CO +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/0/CO @@ -17,7 +17,7 @@ FoamFile dimensions [0 0 0 0 0 0 0]; -internalField uniform 0.351; +internalField uniform 0.351; boundaryField { @@ -38,13 +38,13 @@ boundaryField inlet { - type fixedValue; - value uniform 0.351; + type fixedValue; + value uniform 0.351; } outlet { - type zeroGradient; + type zeroGradient; } } diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/0/CO2 b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/0/CO2 index a4dc6d19..3a922f64 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/0/CO2 +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/0/CO2 @@ -38,12 +38,12 @@ boundaryField inlet { - type zeroGradient; + type zeroGradient; } outlet { - type zeroGradient; + type zeroGradient; } } diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/0/N2 b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/0/N2 index ba7b0bd9..c1466114 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/0/N2 +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/0/N2 @@ -39,7 +39,7 @@ boundaryField inlet { type fixedValue; - value uniform 0.5865; + value uniform 0.5865; } outlet diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/0/T b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/0/T index 02b5cb3b..cbc85280 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/0/T +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/0/T @@ -17,7 +17,7 @@ FoamFile dimensions [0 0 0 1 0 0 0]; -internalField uniform 1223.15; // 950 + 273.15 +internalField uniform 1223.15; // 950 + 273.15 boundaryField { @@ -39,7 +39,7 @@ boundaryField inlet { type fixedValue; - value uniform 1223.15; + value uniform 1223.15; } outlet diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/0/U b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/0/U index 047777bd..f50a655f 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/0/U +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/0/U @@ -23,15 +23,15 @@ boundaryField { top { - type zeroGradient; + type zeroGradient; } bottom { - type zeroGradient; + type zeroGradient; } side-walls { - type zeroGradient; + type zeroGradient; } inlet { diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/0/Us b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/0/Us index a769f873..4e80604a 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/0/Us +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/0/Us @@ -33,7 +33,7 @@ boundaryField { type zeroGradient; } - + inlet { type zeroGradient; diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/0/voidfraction b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/0/voidfraction index 3126fb49..6f3a5b0b 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/0/voidfraction +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/0/voidfraction @@ -39,7 +39,7 @@ boundaryField inlet { type fixedValue; - value $internalField; + value $internalField; } outlet diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/constant/combustionProperties b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/constant/combustionProperties index 487421c2..c5b934a4 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/constant/combustionProperties +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/constant/combustionProperties @@ -20,7 +20,7 @@ combustionModel noCombustion; //PaSR 0 primitives - mode magnitude; // magnitude | component - } - - fieldMinMax_Cpv - { - type fieldMinMax; - libs ("libfieldFunctionObjects.so"); - fields (Cpv); - // Report the location of the field extrema - location yes; - // Type of extrema for rank > 0 primitives - mode magnitude; // magnitude | component - } - - fieldMinMax_partTemp - { - type fieldMinMax; - libs ("libfieldFunctionObjects.so"); - fields (partTemp); - location yes; - mode magnitude; + type fieldMinMax; + libs ("libfieldFunctionObjects.so"); + fields (T); + // Report the location of the field extrema + location yes; + // Type of extrema for rank > 0 primitives + mode magnitude; // magnitude | component } + fieldMinMax_Cpv + { + type fieldMinMax; + libs ("libfieldFunctionObjects.so"); + fields (Cpv); + // Report the location of the field extrema + location yes; + // Type of extrema for rank > 0 primitives + mode magnitude; // magnitude | component + } + + fieldMinMax_partTemp + { + type fieldMinMax; + libs ("libfieldFunctionObjects.so"); + fields (partTemp); + location yes; + mode magnitude; + } + globalMassFrac - { + { type volRegion; libs ("libfieldFunctionObjects.so"); - writeControl timeStep;//outputTime; - writeInterval 1; + writeControl timeStep;//outputTime; + writeInterval 1; log true; writeFields false; regionType all; @@ -120,14 +123,14 @@ functions CO2 CO N2 - ); - } + ); + } globalMass - { + { type volRegion; libs ("libfieldFunctionObjects.so"); - writeControl timeStep;//outputTime; + writeControl timeStep;//outputTime; writeInterval 1; log true; writeFields false; @@ -140,6 +143,6 @@ functions rho ); } -} +} // ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/system/decomposeParDict b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/system/decomposeParDict index c5dcd7c4..62a9d302 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/system/decomposeParDict +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/system/decomposeParDict @@ -17,7 +17,6 @@ FoamFile numberOfSubdomains 2; -//method scotch; method simple; simpleCoeffs diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/system/fvOptions b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/system/fvOptions index 9536c869..fd3e0929 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/system/fvOptions +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/system/fvOptions @@ -25,6 +25,6 @@ limitedTemperature Tmin 1200; Tmax 2500; } -} +} diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/system/fvSchemes b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/system/fvSchemes index a819f794..fed2bdf5 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/system/fvSchemes +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/system/fvSchemes @@ -25,36 +25,36 @@ gradSchemes default Gauss linear; grad(p) cellMDLimited leastSquares 0.5; grad(U) cellMDLimited leastSquares 0.5; //cellLimited Gauss linear 1; // - grad(h) cellMDLimited leastSquares 0.5; - grad(e) cellMDLimited leastSquares 0.5; + grad(h) cellMDLimited leastSquares 0.5; + grad(e) cellMDLimited leastSquares 0.5; } divSchemes { default Gauss linear; - div(phi,U) Gauss limitedLinear 1; //Gauss linear; //Gauss limitedLinear 1; // //Gauss limitedLinearV 1; // - div(phid,p) Gauss limitedLinear 1; //Gauss upwind; //Gauss limitedLinearV 1; - div(phi,K) Gauss limitedLinear 1; - div(phi,h) Gauss limitedLinear 1; //Gauss upwind; - div(phi,k) Gauss limitedLinear 1; //Gauss upwind; - div(phi,epsilon) Gauss limitedLinear 1; //Gauss upwind; + div(phi,U) Gauss limitedLinear 1; //Gauss linear; //Gauss limitedLinearV 1; + div(phid,p) Gauss limitedLinear 1; //Gauss upwind; //Gauss limitedLinearV 1; + div(phi,K) Gauss limitedLinear 1; + div(phi,h) Gauss limitedLinear 1; //Gauss upwind; + div(phi,k) Gauss limitedLinear 1; //Gauss upwind; + div(phi,epsilon) Gauss limitedLinear 1; //Gauss upwind; div(U) Gauss limitedLinear 1; - div(phi,Yi_h) Gauss multivariateSelection - { - CO limitedLinear01 1; - H2 limitedLinear01 1; - N2 limitedLinear01 1; - H2O limitedLinear01 1; + div(phi,Yi_h) Gauss multivariateSelection + { + CO limitedLinear01 1; + H2 limitedLinear01 1; + N2 limitedLinear01 1; + H2O limitedLinear01 1; CO2 limitedLinear01 1; - h limitedLinear 1; + h limitedLinear 1; e limitedLinear 1; - } + } // div((muEff*dev2(T(grad(U))))) Gauss linear; div((viscousTerm*dev2(grad(U).T()))) Gauss linear; div((thermo:mu*dev(grad(U).T()))) Gauss linear; div((nuEff*dev2(T(grad(U))))) Gauss linear; - div(phi,T) Gauss limitedLinear 1; + div(phi,T) Gauss limitedLinear 1; } laplacianSchemes diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/system/fvSolution b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/system/fvSolution index 9976d4cd..2b3f9225 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/system/fvSolution +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/system/fvSolution @@ -22,7 +22,7 @@ solvers preconditioner DIC; tolerance 1e-6; relTol 0.01; - /*solver GAMG; + /*solver GAMG; tolerance 1e-06; relTol 0.01; smoother GaussSeidel; @@ -48,20 +48,20 @@ solvers preconditioner DIC; tolerance 1e-6; relTol 0.01; - /*solver smoothSolver; - smoother symGaussSeidel; - tolerance 1e-6; - relTol 0.1; - nSweeps 3;*/ + /*solver smoothSolver; + smoother symGaussSeidel; + tolerance 1e-6; + relTol 0.1; + nSweeps 3;*/ } - + "(rho|G)Final" { - $rho; + $rho; tolerance 1e-06; relTol 0; } - + "(U|h|e|R|k|epsilon)" { solver smoothSolver; @@ -76,14 +76,14 @@ solvers tolerance 1e-05; relTol 0; } - + "(Yi|CO|CO2|H2|H2O|N2)" { solver smoothSolver; smoother symGaussSeidel; tolerance 1e-06; relTol 0.01; - maxIter 100; + maxIter 100; } "(Yi|CO|CO2|H2|H2O|N2)Final" @@ -91,9 +91,9 @@ solvers $Yi; tolerance 1e-06; relTol 0; - maxIter 100; + maxIter 100; } - + T { solver PBiCG; @@ -107,24 +107,24 @@ PIMPLE { momentumPredictor yes; nOuterCorrectors 5; - nCorrectors 2; + nCorrectors 2; nNonOrthogonalCorrectors 0; - rhoMin rhoMin [ 1 -3 0 0 0 ] 0.4; - rhoMax rhoMax [ 1 -3 0 0 0 ] 2.0; + rhoMin rhoMin [ 1 -3 0 0 0 ] 0.4; + rhoMax rhoMax [ 1 -3 0 0 0 ] 2.0; } relaxationFactors { fields { - T 0.5; - "(Yi|CO|CO2|H2|H2O|N2)" 0.6; - p 0.6; + T 0.5; + "(Yi|CO|CO2|H2|H2O|N2)" 0.6; + p 0.6; } equations { ".*" 0.8; - "(h|e).*" 0.5; + "(h|e).*" 0.5; } } diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/system/probesDict b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/system/probesDict index e206213e..a916d4ea 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/system/probesDict +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/system/probesDict @@ -1,16 +1,16 @@ /*--------------------------------*- C++ -*----------------------------------*\ | ========= | | -| \ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \ / O peration | Version: 2.1.x | -| \ / A nd | Web: www.OpenFOAM.org | -| \/ M anipulation | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.1.x | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | \*---------------------------------------------------------------------------*/ FoamFile { - version 2.0; - format ascii; - class dictionary; - object probesDict; + version 2.0; + format ascii; + class dictionary; + object probesDict; } // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // @@ -18,18 +18,18 @@ FoamFile fields ( - rho - p - T - Cpv - N2 - CO2 - CO - ModSpeciesMassField_N2 - ModSpeciesMassField_CO2 - ModSpeciesMassField_CO - X_CO - X_CO2 + rho + p + T + Cpv + N2 + CO2 + CO + ModSpeciesMassField_N2 + ModSpeciesMassField_CO2 + ModSpeciesMassField_CO + X_CO + X_CO2 ); writeControl timeStep; @@ -39,9 +39,9 @@ writeInterval 50; // Locations to be probed. probeLocations ( - (7.0 2.5 2.5) - (8.0 2.5 2.5) - (1.0 2.5 2.5) + (7.0 2.5 2.5) + (8.0 2.5 2.5) + (1.0 2.5 2.5) ); // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/DEM/in.liggghts_init b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/DEM/in.liggghts_init index 30fee690..c56b3306 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/DEM/in.liggghts_init +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/DEM/in.liggghts_init @@ -24,7 +24,7 @@ fix m3 all property/global coefficientRestitution peratomtypepair 1 0.3 fix m4 all property/global coefficientFriction peratomtypepair 1 0.5 # pair style -pair_style gran model hertz tangential history # Hertzian without cohesion +pair_style gran model hertz tangential history pair_coeff * * # timestep, gravity @@ -45,14 +45,14 @@ set atom 1 diameter 0.01106028 density 4300 vx 0 vy 0 vz 0 # screen output compute rke all erotate/sphere -thermo_style custom step atoms ke c_rke vol +thermo_style custom step atoms ke c_rke vol thermo 1000 thermo_modify lost ignore norm no compute_modify thermo_temp dynamic yes # insert the first particles so that dump is not empty run 1 -dump dmp all custom 100 post/dump.liggghts_init id type x y z vx vy vz fx fy fz radius mass +dump dmp all custom 100 ../DEM/post/dump.liggghts_init id type x y z vx vy vz fx fy fz radius mass -run 10 upto -write_restart post/restart/liggghts.restart +run 10 upto +write_restart ../DEM/post/restart/liggghts.restart diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/DEM/in.liggghts_run b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/DEM/in.liggghts_run index f638202b..d8b43f82 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/DEM/in.liggghts_run +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/DEM/in.liggghts_run @@ -1,4 +1,4 @@ -# Pour granular particles into chute container, then induce flow +# chemistry test case log ../DEM/log.liggghts thermo_log ../DEM/post/thermo.txt @@ -26,7 +26,7 @@ fix m3 all property/global coefficientRestitution peratomtypepair 1 0.3 fix m4 all property/global coefficientFriction peratomtypepair 1 0.5 # pair style -pair_style gran model hertz tangential history # Hertzian without cohesion +pair_style gran model hertz tangential history pair_coeff * * # timestep, gravity @@ -42,8 +42,8 @@ fix zwalls1 all wall/gran model hertz tangential history primitive type 1 zp fix zwalls2 all wall/gran model hertz tangential history primitive type 1 zplane 0.5 # Thermal properties -fix ftco all property/global thermalConductivity peratomtype 1.4 -fix ftca all property/global thermalCapacity peratomtype 3000 +fix ftco all property/global thermalConductivity peratomtype 1.4 +fix ftca all property/global thermalCapacity peratomtype 3000 ############################################### @@ -52,7 +52,7 @@ fix cfd all couple/cfd couple_every 50 mpi fix cfd2 all couple/cfd/force # this one invokes heat transfer calculation, transfers per-particle temperature and adds convective heat flux to particles -fix tconv all couple/cfd/convection T0 1221 +fix tconv all couple/cfd/convection T0 1221 # this should invoke chemistry fix cfd3 all couple/cfd/chemistry n_species 3 species_names CO CO2 N2 n_diff 1 diffusant_names CO @@ -65,29 +65,30 @@ fix k0_CO all property/atom k0_cfd5 vector yes no no 17 25 2700 fix Ea_CO all property/atom Ea_cfd5 vector yes no no 69488 73674 113859 # particle porosity/tortuosity/pore diameter -fix porosity all property/atom porosity_ vector yes no no 0.65 0.31 0.16 0.15 -fix tortuosity all property/global tortuosity_ scalar 3 -fix pore_diameter all property/global pore_diameter_ scalar 5.5e-7 +fix porosity all property/atom porosity_ vector yes no no 0.65 0.31 0.16 0.15 +fix tortuosity all property/global tortuosity_ scalar 3 +fix pore_diameter all property/global pore_diameter_ scalar 5.5e-7 # define layer properties fix LayerRelRadii all property/atom relRadii vector yes no no 1.0 0.998 0.995 0.98 ### define fix for mass layer - initial testing -fix LayerMasses all property/atom massLayer vector yes no no 0. 0. 0. 0. -fix LayerDennsities all property/global density_all vector 7870. 5740. 5170. 5240. +fix LayerMasses all property/atom massLayer vector yes no no 0. 0. 0. 0. +fix LayerDennsities all property/global density_all vector 7870. 5740. 5170. 5240. ## define fix for rho_eff and fracRed - initialize as zero -fix fracRed all property/atom fracRed_all vector yes no no 0. 0. 0. -fix rhoeff all property/atom rhoeff vector yes no no 0. 0. 0. 0. +fix fracRed all property/atom fracRed_all vector yes no no 0. 0. 0. +fix rhoeff all property/atom rhoeff vector yes no no 0. 0. 0. 0. ############### # Write data into files for post-processing -variable WI equal 10 -variable time equal time -variable m1 equal mass[1] -variable rp equal radius[1] -variable rho1 equal mass[1]/((4/3)*PI*radius[1]*radius[1]*radius[1]) +variable WI equal 10 +variable time equal time +variable m1 equal mass[1] +variable rp equal radius[1] +variable rho1 equal mass[1]/((4/3)*PI*radius[1]*radius[1]*radius[1]) + fix printmass all print ${WI} "${time} ${m1} ${rho1} ${rp}" file mass_rho_rad.txt title "#time mass rho rad_par" # compute kinetic energy of particles to see if they are moving changing @@ -95,16 +96,16 @@ compute KinEn all ke variable ke_tot equal c_KinEn # print total kinetic energy -fix printCompute all print ${WI} "${time} ${ke_tot}" file printKE.txt title "#time ke_tot" +fix printCompute all print ${WI} "${time} ${ke_tot}" file printKE.txt title "#time ke_tot" compute Ea_CO all reduce sum f_Ea_CO[1] f_Ea_CO[2] f_Ea_CO[3] -fix Ea all ave/time 1 1 1 c_Ea_CO[1] c_Ea_CO[2] c_Ea_CO[3] -variable Ea1 equal f_Ea[1] -variable Ea2 equal f_Ea[2] -variable Ea3 equal f_Ea[3] +fix Ea all ave/time 1 1 1 c_Ea_CO[1] c_Ea_CO[2] c_Ea_CO[3] +variable Ea1 equal f_Ea[1] +variable Ea2 equal f_Ea[2] +variable Ea3 equal f_Ea[3] compute k0CO all reduce sum f_k0_CO[1] f_k0_CO[2] f_k0_CO[3] -fix k0 all ave/time 1 1 1 c_k0CO[1] c_k0CO[2] c_k0CO[3] +fix k0 all ave/time 1 1 1 c_k0CO[1] c_k0CO[2] c_k0CO[3] variable k01 equal f_k0[1] variable k02 equal f_k0[2] variable k03 equal f_k0[3] @@ -116,28 +117,28 @@ fix printk0Ea all print ${WI} "${time} ${Ea1} ${Ea2} ${Ea3} ${k01} ${k02} ${k03} # Diffusion Coefficient for CO and H2 compute COdiff all reduce sum f_CO_diffCoeff -fix diffField_CO all ave/time 1 1 1 c_COdiff +fix diffField_CO all ave/time 1 1 1 c_COdiff variable CO_diffCo equal f_diffField_CO -fix printDCoeff all print ${WI} "${time} ${CO_diffCo}" file DiffCoeff.dat title "#time CO_diffCoeff" +fix printDCoeff all print ${WI} "${time} ${CO_diffCo}" file DiffCoeff.dat title "#time CO_diffCoeff" ############### # Specific Resistance terms depending on reacting gases compute ACOd1 all reduce sum f_Aterm_cfd5[1] f_Aterm_cfd5[2] f_Aterm_cfd5[3] -fix ACOd1 all ave/time 1 1 1 c_ACOd1[1] c_ACOd1[2] c_ACOd1[3] +fix ACOd1 all ave/time 1 1 1 c_ACOd1[1] c_ACOd1[2] c_ACOd1[3] variable a_CO_1 equal f_ACOd1[1] variable a_CO_2 equal f_ACOd1[2] variable a_CO_3 equal f_ACOd1[3] compute BCOd1 all reduce sum f_Bterm_cfd5[1] f_Bterm_cfd5[2] f_Bterm_cfd5[3] -fix BCOd1 all ave/time 10 1 10 c_BCOd1[1] c_BCOd1[2] c_BCOd1[3] +fix BCOd1 all ave/time 10 1 10 c_BCOd1[1] c_BCOd1[2] c_BCOd1[3] variable b_CO_1 equal f_BCOd1[1] variable b_CO_2 equal f_BCOd1[2] variable b_CO_3 equal f_BCOd1[3] compute MCOd1 all reduce sum f_Massterm_cfd5 -fix MTCOd1 all ave/time 10 1 10 c_MCOd1 +fix MTCOd1 all ave/time 10 1 10 c_MCOd1 variable mt_CO equal f_MTCOd1 fix printAterm all print ${WI} "${time} ${a_CO_1} ${a_CO_2} ${a_CO_3}" file Aterm.dat title "#time a_CO_1 aCO_2 a_CO_3" @@ -151,15 +152,15 @@ fix printMassTerm all print ${WI} "${time} ${mt_CO}" file MassTerm.dat title "#t ############### # print out rate change of mass for gaseous reactant compute dmdot all reduce sum f_dmA_cfd5[1] f_dmA_cfd5[2] f_dmA_cfd5[3] -fix dmA_val all ave/time 1 1 1 c_dmdot[1] c_dmdot[2] c_dmdot[3] +fix dmA_val all ave/time 1 1 1 c_dmdot[1] c_dmdot[2] c_dmdot[3] variable dmdot_1 equal f_dmA_val[1] variable dmdot_2 equal f_dmA_val[2] variable dmdot_3 equal f_dmA_val[3] fix printdmdot all print ${WI} "${time} ${dmdot_1} ${dmdot_2} ${dmdot_3}" file dmdot.dat title "#time dmdot_1 dmdot_2 dmdot_3" -compute fr_1 all reduce sum f_fracRed[1] f_fracRed[2] f_fracRed[3] -fix fr_d1 all ave/time 1 1 1 c_fr_1[1] c_fr_1[2] c_fr_1[3] +compute fr_1 all reduce sum f_fracRed[1] f_fracRed[2] f_fracRed[3] +fix fr_d1 all ave/time 1 1 1 c_fr_1[1] c_fr_1[2] c_fr_1[3] variable fr_d1_1 equal f_fr_d1[1] variable fr_d1_2 equal f_fr_d1[2] variable fr_d1_3 equal f_fr_d1[3] @@ -171,20 +172,20 @@ fix printfr1 all print ${WI} "${time} ${fr_d1_1} ${fr_d1_2} ${fr_d1_3} ${frOV_d1 ############################################### ## Check Layer Radii and Write them to files ### -compute layerRad1 all reduce sum f_LayerRelRadii[1] -fix redRad1 all ave/time 1 1 1 c_layerRad1 +compute layerRad1 all reduce sum f_LayerRelRadii[1] +fix redRad1 all ave/time 1 1 1 c_layerRad1 variable rr1 equal f_redRad1 compute layerRad2 all reduce sum f_LayerRelRadii[2] -fix redRad2 all ave/time 1 1 1 c_layerRad2 +fix redRad2 all ave/time 1 1 1 c_layerRad2 variable rr2 equal f_redRad2 compute layerRad3 all reduce sum f_LayerRelRadii[3] -fix redRad3 all ave/time 1 1 1 c_layerRad3 +fix redRad3 all ave/time 1 1 1 c_layerRad3 variable rr3 equal f_redRad3 compute layerRad4 all reduce sum f_LayerRelRadii[4] -fix redRad4 all ave/time 1 1 1 c_layerRad4 +fix redRad4 all ave/time 1 1 1 c_layerRad4 variable rr4 equal f_redRad4 fix printRelRadii all print ${WI} "${time} ${rr1} ${rr2} ${rr3} ${rr4}" file relRadii.dat title "#time relRad_1 relRad_2 relRad_3 relRad_4" @@ -197,5 +198,6 @@ thermo 10 thermo_modify lost ignore norm no compute_modify thermo_temp dynamic yes -dump dmp all custom 100 ../DEM/post/dump*.liggghts_run id type x y z vx vy vz fx fy fz radius mass f_fracRed[1] f_fracRed[2] f_fracRed[3] -run 1 +dump dmp all custom 100 ../DEM/post/dump*.liggghts_run id type x y z vx vy vz fx fy fz radius mass f_fracRed[1] f_fracRed[2] f_fracRed[3] + +run 1 diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/parCFDDEMrun.sh b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/parCFDDEMrun.sh index 478c59cd..efacb771 100755 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/parCFDDEMrun.sh +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/parCFDDEMrun.sh @@ -1,9 +1,8 @@ #!/bin/bash #===================================================================# -# allrun script for testcase as part of test routine -# run settlingTest CFD part -# Christoph Goniva - Feb. 2011 +# allrun script for testcase +# M. Efe Kinaci - Sep 2018 #===================================================================# #- source CFDEM env vars diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/parDEMrun.sh b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/parDEMrun.sh index 3b9653f8..c580f12e 100755 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/parDEMrun.sh +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/parDEMrun.sh @@ -1,9 +1,8 @@ #!/bin/bash #===================================================================# -# DEMrun script for ErgunTestMPI testcase -# init ErgunTestMPI -# Christoph Goniva - July 2014 +# DEMrun script for testcase +# M. Efe Kinaci - Sep 2018 #===================================================================# #- source CFDEM env vars From b4a3c358ff979ba0bf480d2c5a2b644fc042f9f3 Mon Sep 17 00:00:00 2001 From: Daniel Queteschiner Date: Thu, 19 Sep 2019 12:29:23 +0200 Subject: [PATCH 80/92] fix test harness run configurations --- .../SingleParticleCases/33CO3H2_Hematite/run.config | 5 +++-- .../SingleParticleCases/GOD0k1_Hematite/run.config | 5 +++-- 2 files changed, 6 insertions(+), 4 deletions(-) diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/run.config b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/run.config index 9091b486..17e0cac4 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/run.config +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/run.config @@ -4,12 +4,13 @@ { "name" : "liggghts-init", "input_script" : "DEM/in.liggghts_init", - "type" : "liggghts/serial" + "type" : "liggghts/mpi", + "nprocs" : 2 }, { "name" : "cfdemrun", "depends_on" : "liggghts-init", - "solver" : "cfdemSolverPiso", + "solver" : "cfdemSolverRhoPimpleChem", "type" : "CFDEMcoupling/mpi", "nprocs" : 2, "pre_scripts" : ["prerun.sh"], diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/run.config b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/run.config index 9091b486..17e0cac4 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/run.config +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/run.config @@ -4,12 +4,13 @@ { "name" : "liggghts-init", "input_script" : "DEM/in.liggghts_init", - "type" : "liggghts/serial" + "type" : "liggghts/mpi", + "nprocs" : 2 }, { "name" : "cfdemrun", "depends_on" : "liggghts-init", - "solver" : "cfdemSolverPiso", + "solver" : "cfdemSolverRhoPimpleChem", "type" : "CFDEMcoupling/mpi", "nprocs" : 2, "pre_scripts" : ["prerun.sh"], From 35bb6ba7ebe8853e8ce0a3db104fc654df94eb9a Mon Sep 17 00:00:00 2001 From: Daniel Queteschiner Date: Thu, 19 Sep 2019 12:30:24 +0200 Subject: [PATCH 81/92] replace $casePath/CFD with $FOAM_CASE [ci skip] --- .../CFD/constant/couplingProperties | 20 +++++++++---------- .../CFD/constant/thermophysicalProperties | 4 ++-- .../CFD/constant/couplingProperties | 18 ++++++++--------- .../CFD/constant/thermophysicalProperties | 4 ++-- 4 files changed, 23 insertions(+), 23 deletions(-) diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/constant/couplingProperties b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/constant/couplingProperties index e0b8ddec..e85706ff 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/constant/couplingProperties +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/constant/couplingProperties @@ -101,20 +101,20 @@ heatTransferGunnProps speciesProps { - ChemistryFile "$casePath/CFD/constant/foam.inp"; - Nevery 1; - verbose false; - interpolation false; + ChemistryFile "$FOAM_CASE/constant/foam.inp"; + Nevery 1; + verbose false; + interpolation false; } diffusionCoefficientsProps { - verbose false; - interpolation false; - ChemistryFile "$casePath/CFD/constant/foam.inp"; - diffusantGasNames ( CO - H2 - ); + verbose false; + interpolation false; + ChemistryFile "$FOAM_CASE/constant/foam.inp"; + diffusantGasNames ( CO + H2 + ); } massTransferCoeffProps diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/constant/thermophysicalProperties b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/constant/thermophysicalProperties index 003de212..e8ab5108 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/constant/thermophysicalProperties +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/constant/thermophysicalProperties @@ -28,9 +28,9 @@ thermoType chemistryReader foamChemistryReader; -foamChemistryThermoFile "$casePath/CFD/constant/foam.dat"; +foamChemistryThermoFile "$FOAM_CASE/constant/foam.dat"; -foamChemistryFile "$casePath/CFD/constant/foam.inp"; +foamChemistryFile "$FOAM_CASE/constant/foam.inp"; inertSpecie N2; diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/constant/couplingProperties b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/constant/couplingProperties index 0e82f2e3..2d83d6f8 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/constant/couplingProperties +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/constant/couplingProperties @@ -101,19 +101,19 @@ heatTransferGunnProps speciesProps { - ChemistryFile "$casePath/CFD/constant/foam.inp"; - Nevery 1; - verbose false; - interpolation false; + ChemistryFile "$FOAM_CASE/constant/foam.inp"; + Nevery 1; + verbose false; + interpolation false; } diffusionCoefficientsProps { - verbose false; - interpolation false; - ChemistryFile "$casePath/CFD/constant/foam.inp"; - diffusantGasNames ( CO - ); + verbose false; + interpolation false; + ChemistryFile "$FOAM_CASE/constant/foam.inp"; + diffusantGasNames ( CO + ); } massTransferCoeffProps diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/constant/thermophysicalProperties b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/constant/thermophysicalProperties index 003de212..e8ab5108 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/constant/thermophysicalProperties +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/constant/thermophysicalProperties @@ -28,9 +28,9 @@ thermoType chemistryReader foamChemistryReader; -foamChemistryThermoFile "$casePath/CFD/constant/foam.dat"; +foamChemistryThermoFile "$FOAM_CASE/constant/foam.dat"; -foamChemistryFile "$casePath/CFD/constant/foam.inp"; +foamChemistryFile "$FOAM_CASE/constant/foam.inp"; inertSpecie N2; From 04c77886e8f18fa866083451f2b5987ca9d8edb1 Mon Sep 17 00:00:00 2001 From: Daniel Queteschiner Date: Thu, 19 Sep 2019 13:29:33 +0200 Subject: [PATCH 82/92] fix test harness run configuration --- .../SingleParticleCases/ISO4695/run.config | 5 +++-- 1 file changed, 3 insertions(+), 2 deletions(-) diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/run.config b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/run.config index 9091b486..17e0cac4 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/run.config +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/run.config @@ -4,12 +4,13 @@ { "name" : "liggghts-init", "input_script" : "DEM/in.liggghts_init", - "type" : "liggghts/serial" + "type" : "liggghts/mpi", + "nprocs" : 2 }, { "name" : "cfdemrun", "depends_on" : "liggghts-init", - "solver" : "cfdemSolverPiso", + "solver" : "cfdemSolverRhoPimpleChem", "type" : "CFDEMcoupling/mpi", "nprocs" : 2, "pre_scripts" : ["prerun.sh"], From a31e6b0f862df58fdf561393cb4a2f523f13f41c Mon Sep 17 00:00:00 2001 From: Daniel Queteschiner Date: Thu, 19 Sep 2019 13:30:16 +0200 Subject: [PATCH 83/92] delete temporary files --- .../CFD/constant/polyMesh/.blockMeshDict.swp | Bin 1024 -> 0 bytes .../ISO4695/DEM/.in.liggghts_run.swo | Bin 16384 -> 0 bytes 2 files changed, 0 insertions(+), 0 deletions(-) delete mode 100644 tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/constant/polyMesh/.blockMeshDict.swp delete mode 100644 tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/DEM/.in.liggghts_run.swo diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/constant/polyMesh/.blockMeshDict.swp b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/constant/polyMesh/.blockMeshDict.swp deleted file mode 100644 index c91a9d3065beaa1787e5d817dab0093083017671..0000000000000000000000000000000000000000 GIT binary patch literal 0 HcmV?d00001 literal 1024 zcmeH@!3x4K42E~}HN49jnLdG=-UdVQJi0F0vbHI0C-d!f>@tMCfGmgb^XDTZf3vsT z(l%p9mL;>=?2@EYmJ2mA7v#jHEru?VTY$bcNHPc$4f&-wms1ziJFV<9H9SQ0X~qt0 zfY?X!it7O4(W1GLexbigs+4gWbBP8j?xPYKYh~*b4dXTtWJBaOf+PJdF-T}MiEdPd S5^?#ub+RV#_X*s8Kl}ik6Ffcu diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/DEM/.in.liggghts_run.swo b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/DEM/.in.liggghts_run.swo deleted file mode 100644 index a18da512f3b027f0046f03115b309abc6c74a8d0..0000000000000000000000000000000000000000 GIT binary patch literal 0 HcmV?d00001 literal 16384 zcmeHN&5s;M6)zl;Fo8hi9FW4L!dz^V>FLk;aDv2olA{#1V-bT#&eMA>sgMjNkx=oDlFofP@GMzt>+gvpc&X#GG91{mu5)t9te7 zSFc{x8`pt(>!m$DG+c(~3C8~P1N*l7$=mE_A7SiJ#(p44aQ^e()_c9G*x!BO`RjYt zXOI+WDC2ow6)MT3ALjjFHWksUNq8i({YCPMjM7l-E=1ISQAECyN=(ej*zS`G85^OT z&*ux3PqHFD-%2gj3_QRL6l&HRJ$}=%Et6R2e)?(t!0W&_fdk+<;91}y-~#ZQ#~}v{;IAKJ>@UC{f$svx zz!7i&d=dB*@Dy+nc=Mx-eGPaN`1xau-2~o-;r{~e0lx))1$+;Xzyf#)co+8=-U03b zw}IDye?AI3fNuex2Oa?)2Htvvu{Qu0aDYEQ%-D~CuLDm47lAiF%-Ao18^8tNr}*OI zC&2fC=YVH{%fJ)BA1*NVL*N$h6!3d+{2id=dSfnU@=iz0X3xvn>A8l>8`<(~O||@dU3-3>E0IN8)U={J@I!yo z8nT0TuAR}cDnGyDoio~2<>$AZWqz^kJj>shG)FR62R)Pi2v> zdWw>ec;B3kd6*pdA+Kc<8g@NE(=a`6~<7W5$95! z@R(Y6EnC+;91TtG4PAU#^k(CY=-cx#b-2jW_^$+6Gk9weXTlGZnDPLZc_f^M=Zj3n zhhRDr{1RmH2yJ;1hf99E5OGEbU9weywmkW&*QinK~vnp3R6WwjBIhFm2lEIqta0kPx;J7yvD6x#8XS$C#%os2blu-Hp!T2Z{sgzu zyvBgR*d2}d&>0L}ZduOA8`DHp{!7$}SY-2MLwCvX%Tg$eP+jF%F{a7K7JXXI5Wm(N zZ) z-&oFhDgt!6!*_2q(Q5~jXkyh^ycX_4XgAVblDaNQgG?Yol&&CfQ*g68SP7ZL?sLhP4uDp$}QPikwp)7UkM5pi;|oa}p<98N6| zpYlaggi|i#qvTLjp^j8+^kkpx3FZc(T?^>@L;BgkDuf_N@sMPVI-#5!6cyvs;ZEaqyN3U2YcY3O6) zG7YaCNu}5-M{^$(o2}yIeX)3X+Tu#_2er6Wyt4SteX;mXWijG@OGTylgIZiG#`1z& zm8P!TgTf0u;z*YBSia$yfT~SAq*rWMbeJ)jl2{i?q}0k1y>emHMbA`f6jnp(%WM)P zIMs4~g(MY_CbWi#b(+Qw&`=)Ni6kM3-F}A zG?96p#Q8pL%j;@jkbAdvt{BNh0N%TfLKaX zf+It=#w<>yv5@n{1aU&nmNWvy3m=Zb4N=BO)~q3$Tw%BxxpIVf&#y@QKaa589hV}7bbPmUdk zl9&ahFhLS4A4x^_43QQ?G%W&bl3{YpbpEgNf2_^*Gd0#Neke9|+9ZD?t16G>tw`tp zI{(-C|Jn-D`G56=)GFQ9`M=Kpb^c#{QG=Xa=l}oP7YnOwTIc_5>ZtR7o&VPfVx;qb Ko&Uej{Qo~O4+X>k From be0fee893871ec32fc6a6270b319b3d051991060 Mon Sep 17 00:00:00 2001 From: Daniel Queteschiner Date: Thu, 19 Sep 2019 13:32:58 +0200 Subject: [PATCH 84/92] clean up whitespaces and comments --- .../SingleParticleCases/ISO4695/Allrun.sh | 5 +- .../SingleParticleCases/ISO4695/CFD/0/CO | 6 +- .../SingleParticleCases/ISO4695/CFD/0/CO2 | 4 +- .../SingleParticleCases/ISO4695/CFD/0/N2 | 2 +- .../SingleParticleCases/ISO4695/CFD/0/T | 4 +- .../SingleParticleCases/ISO4695/CFD/0/U | 6 +- .../SingleParticleCases/ISO4695/CFD/0/Us | 2 +- .../SingleParticleCases/ISO4695/CFD/0/p | 2 +- .../SingleParticleCases/ISO4695/CFD/0/p.org | 2 +- .../ISO4695/CFD/0/voidfraction | 2 +- .../ISO4695/CFD/constant/combustionProperties | 2 +- .../ISO4695/CFD/constant/couplingProperties | 49 ++++------ .../ISO4695/CFD/constant/foam.dat | 5 +- .../ISO4695/CFD/constant/foam.inp | 6 +- .../CFD/constant/polyMesh/cylinderMesh.m4 | 46 ++++----- .../CFD/constant/thermophysicalProperties | 14 +-- .../ISO4695/CFD/constant/transportProperties | 14 +-- .../ISO4695/CFD/system/controlDict | 95 ++++++++++--------- .../ISO4695/CFD/system/decomposeParDict | 1 - .../ISO4695/CFD/system/fvOptions | 2 +- .../ISO4695/CFD/system/fvSchemes | 38 ++++---- .../ISO4695/CFD/system/fvSolution | 40 ++++---- .../ISO4695/CFD/system/probesDict | 46 ++++----- .../ISO4695/DEM/in.liggghts_init | 11 ++- .../ISO4695/DEM/in.liggghts_run | 78 +++++++-------- .../SingleParticleCases/ISO4695/README | 6 +- .../ISO4695/parCFDDEMrun.sh | 5 +- .../SingleParticleCases/ISO4695/parDEMrun.sh | 5 +- 28 files changed, 245 insertions(+), 253 deletions(-) diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/Allrun.sh b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/Allrun.sh index 5c5cfbbc..59cfd7cd 100755 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/Allrun.sh +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/Allrun.sh @@ -1,9 +1,8 @@ #!/bin/bash #===================================================================# -# allrun script for testcase as part of test routine -# run settlingTest -# Christoph Goniva - Sept. 2010 +# allrun script for testcase +# M. Efe Kinaci - Sep 2019 #===================================================================# #- source CFDEM env vars diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/0/CO b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/0/CO index b971c1ce..415c788d 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/0/CO +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/0/CO @@ -38,13 +38,13 @@ boundaryField inlet { - type fixedValue; - value uniform 0.4; + type fixedValue; + value uniform 0.4; } outlet { - type zeroGradient; + type zeroGradient; } } diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/0/CO2 b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/0/CO2 index 4ad6de47..18dca4ec 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/0/CO2 +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/0/CO2 @@ -38,12 +38,12 @@ boundaryField inlet { - type zeroGradient; + type zeroGradient; } outlet { - type zeroGradient; + type zeroGradient; } } diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/0/N2 b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/0/N2 index ed7c9acc..d3a54927 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/0/N2 +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/0/N2 @@ -39,7 +39,7 @@ boundaryField inlet { type fixedValue; - value uniform 0.6; + value uniform 0.6; } outlet diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/0/T b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/0/T index 02b5cb3b..cbc85280 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/0/T +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/0/T @@ -17,7 +17,7 @@ FoamFile dimensions [0 0 0 1 0 0 0]; -internalField uniform 1223.15; // 950 + 273.15 +internalField uniform 1223.15; // 950 + 273.15 boundaryField { @@ -39,7 +39,7 @@ boundaryField inlet { type fixedValue; - value uniform 1223.15; + value uniform 1223.15; } outlet diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/0/U b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/0/U index 047777bd..f50a655f 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/0/U +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/0/U @@ -23,15 +23,15 @@ boundaryField { top { - type zeroGradient; + type zeroGradient; } bottom { - type zeroGradient; + type zeroGradient; } side-walls { - type zeroGradient; + type zeroGradient; } inlet { diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/0/Us b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/0/Us index a769f873..4e80604a 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/0/Us +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/0/Us @@ -33,7 +33,7 @@ boundaryField { type zeroGradient; } - + inlet { type zeroGradient; diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/0/p b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/0/p index 4af5d3be..e2d368fc 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/0/p +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/0/p @@ -17,7 +17,7 @@ FoamFile dimensions [1 -1 -2 0 0 0 0]; -internalField uniform 101325; +internalField uniform 101325; boundaryField { diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/0/p.org b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/0/p.org index af41df32..3c63a681 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/0/p.org +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/0/p.org @@ -17,7 +17,7 @@ FoamFile dimensions [1 -1 -2 0 0 0 0]; -internalField uniform 101325; +internalField uniform 101325; boundaryField { diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/0/voidfraction b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/0/voidfraction index 3126fb49..6f3a5b0b 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/0/voidfraction +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/0/voidfraction @@ -39,7 +39,7 @@ boundaryField inlet { type fixedValue; - value $internalField; + value $internalField; } outlet diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/constant/combustionProperties b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/constant/combustionProperties index 487421c2..c5b934a4 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/constant/combustionProperties +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/constant/combustionProperties @@ -20,7 +20,7 @@ combustionModel noCombustion; //PaSR 0 primitives - mode magnitude; // magnitude | component - } - - fieldMinMax_Cpv - { - type fieldMinMax; - libs ("libfieldFunctionObjects.so"); - fields (Cpv); - // Report the location of the field extrema - location yes; - // Type of extrema for rank > 0 primitives - mode magnitude; // magnitude | component - } - - fieldMinMax_partTemp - { - type fieldMinMax; - libs ("libfieldFunctionObjects.so"); - fields (partTemp); - location yes; - mode magnitude; + type fieldMinMax; + libs ("libfieldFunctionObjects.so"); + fields (T); + // Report the location of the field extrema + location yes; + // Type of extrema for rank > 0 primitives + mode magnitude; // magnitude | component } + fieldMinMax_Cpv + { + type fieldMinMax; + libs ("libfieldFunctionObjects.so"); + fields (Cpv); + // Report the location of the field extrema + location yes; + // Type of extrema for rank > 0 primitives + mode magnitude; // magnitude | component + } + + fieldMinMax_partTemp + { + type fieldMinMax; + libs ("libfieldFunctionObjects.so"); + fields (partTemp); + location yes; + mode magnitude; + } + globalMassFrac - { + { type volRegion; - libs ("libfieldFunctionObjects.so"); - writeControl timeStep;//outputTime; - writeInterval 1; + libs ("libfieldFunctionObjects.so"); + writeControl timeStep;//outputTime; + writeInterval 1; log true; writeFields false; regionType all; @@ -120,14 +123,14 @@ functions CO2 CO N2 - ); - } + ); + } globalMass - { + { type volRegion; - libs ("libfieldFunctionObjects.so"); - writeControl timeStep;//outputTime; + libs ("libfieldFunctionObjects.so"); + writeControl timeStep;//outputTime; writeInterval 1; log true; writeFields false; @@ -140,6 +143,6 @@ functions rho ); } -} +} // ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/system/decomposeParDict b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/system/decomposeParDict index c5dcd7c4..62a9d302 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/system/decomposeParDict +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/system/decomposeParDict @@ -17,7 +17,6 @@ FoamFile numberOfSubdomains 2; -//method scotch; method simple; simpleCoeffs diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/system/fvOptions b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/system/fvOptions index 9536c869..fd3e0929 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/system/fvOptions +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/system/fvOptions @@ -25,6 +25,6 @@ limitedTemperature Tmin 1200; Tmax 2500; } -} +} diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/system/fvSchemes b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/system/fvSchemes index a819f794..54b4ebaa 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/system/fvSchemes +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/system/fvSchemes @@ -25,36 +25,36 @@ gradSchemes default Gauss linear; grad(p) cellMDLimited leastSquares 0.5; grad(U) cellMDLimited leastSquares 0.5; //cellLimited Gauss linear 1; // - grad(h) cellMDLimited leastSquares 0.5; - grad(e) cellMDLimited leastSquares 0.5; + grad(h) cellMDLimited leastSquares 0.5; + grad(e) cellMDLimited leastSquares 0.5; } divSchemes { - default Gauss linear; + default Gauss linear; - div(phi,U) Gauss limitedLinear 1; //Gauss linear; //Gauss limitedLinear 1; // //Gauss limitedLinearV 1; // - div(phid,p) Gauss limitedLinear 1; //Gauss upwind; //Gauss limitedLinearV 1; - div(phi,K) Gauss limitedLinear 1; - div(phi,h) Gauss limitedLinear 1; //Gauss upwind; - div(phi,k) Gauss limitedLinear 1; //Gauss upwind; - div(phi,epsilon) Gauss limitedLinear 1; //Gauss upwind; - div(U) Gauss limitedLinear 1; - div(phi,Yi_h) Gauss multivariateSelection - { - CO limitedLinear01 1; - H2 limitedLinear01 1; - N2 limitedLinear01 1; - H2O limitedLinear01 1; + div(phi,U) Gauss limitedLinear 1; //Gauss linear; //Gauss limitedLinearV 1; + div(phid,p) Gauss limitedLinear 1; //Gauss upwind; //Gauss limitedLinearV 1; + div(phi,K) Gauss limitedLinear 1; + div(phi,h) Gauss limitedLinear 1; //Gauss upwind; + div(phi,k) Gauss limitedLinear 1; //Gauss upwind; + div(phi,epsilon) Gauss limitedLinear 1; //Gauss upwind; + div(U) Gauss limitedLinear 1; + div(phi,Yi_h) Gauss multivariateSelection + { + CO limitedLinear01 1; + H2 limitedLinear01 1; + N2 limitedLinear01 1; + H2O limitedLinear01 1; CO2 limitedLinear01 1; - h limitedLinear 1; + h limitedLinear 1; e limitedLinear 1; - } + } // div((muEff*dev2(T(grad(U))))) Gauss linear; div((viscousTerm*dev2(grad(U).T()))) Gauss linear; div((thermo:mu*dev(grad(U).T()))) Gauss linear; div((nuEff*dev2(T(grad(U))))) Gauss linear; - div(phi,T) Gauss limitedLinear 1; + div(phi,T) Gauss limitedLinear 1; } laplacianSchemes diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/system/fvSolution b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/system/fvSolution index 9976d4cd..2b3f9225 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/system/fvSolution +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/system/fvSolution @@ -22,7 +22,7 @@ solvers preconditioner DIC; tolerance 1e-6; relTol 0.01; - /*solver GAMG; + /*solver GAMG; tolerance 1e-06; relTol 0.01; smoother GaussSeidel; @@ -48,20 +48,20 @@ solvers preconditioner DIC; tolerance 1e-6; relTol 0.01; - /*solver smoothSolver; - smoother symGaussSeidel; - tolerance 1e-6; - relTol 0.1; - nSweeps 3;*/ + /*solver smoothSolver; + smoother symGaussSeidel; + tolerance 1e-6; + relTol 0.1; + nSweeps 3;*/ } - + "(rho|G)Final" { - $rho; + $rho; tolerance 1e-06; relTol 0; } - + "(U|h|e|R|k|epsilon)" { solver smoothSolver; @@ -76,14 +76,14 @@ solvers tolerance 1e-05; relTol 0; } - + "(Yi|CO|CO2|H2|H2O|N2)" { solver smoothSolver; smoother symGaussSeidel; tolerance 1e-06; relTol 0.01; - maxIter 100; + maxIter 100; } "(Yi|CO|CO2|H2|H2O|N2)Final" @@ -91,9 +91,9 @@ solvers $Yi; tolerance 1e-06; relTol 0; - maxIter 100; + maxIter 100; } - + T { solver PBiCG; @@ -107,24 +107,24 @@ PIMPLE { momentumPredictor yes; nOuterCorrectors 5; - nCorrectors 2; + nCorrectors 2; nNonOrthogonalCorrectors 0; - rhoMin rhoMin [ 1 -3 0 0 0 ] 0.4; - rhoMax rhoMax [ 1 -3 0 0 0 ] 2.0; + rhoMin rhoMin [ 1 -3 0 0 0 ] 0.4; + rhoMax rhoMax [ 1 -3 0 0 0 ] 2.0; } relaxationFactors { fields { - T 0.5; - "(Yi|CO|CO2|H2|H2O|N2)" 0.6; - p 0.6; + T 0.5; + "(Yi|CO|CO2|H2|H2O|N2)" 0.6; + p 0.6; } equations { ".*" 0.8; - "(h|e).*" 0.5; + "(h|e).*" 0.5; } } diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/system/probesDict b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/system/probesDict index e206213e..a916d4ea 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/system/probesDict +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/system/probesDict @@ -1,16 +1,16 @@ /*--------------------------------*- C++ -*----------------------------------*\ | ========= | | -| \ / F ield | OpenFOAM: The Open Source CFD Toolbox | -| \ / O peration | Version: 2.1.x | -| \ / A nd | Web: www.OpenFOAM.org | -| \/ M anipulation | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.1.x | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | \*---------------------------------------------------------------------------*/ FoamFile { - version 2.0; - format ascii; - class dictionary; - object probesDict; + version 2.0; + format ascii; + class dictionary; + object probesDict; } // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // @@ -18,18 +18,18 @@ FoamFile fields ( - rho - p - T - Cpv - N2 - CO2 - CO - ModSpeciesMassField_N2 - ModSpeciesMassField_CO2 - ModSpeciesMassField_CO - X_CO - X_CO2 + rho + p + T + Cpv + N2 + CO2 + CO + ModSpeciesMassField_N2 + ModSpeciesMassField_CO2 + ModSpeciesMassField_CO + X_CO + X_CO2 ); writeControl timeStep; @@ -39,9 +39,9 @@ writeInterval 50; // Locations to be probed. probeLocations ( - (7.0 2.5 2.5) - (8.0 2.5 2.5) - (1.0 2.5 2.5) + (7.0 2.5 2.5) + (8.0 2.5 2.5) + (1.0 2.5 2.5) ); // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/DEM/in.liggghts_init b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/DEM/in.liggghts_init index 30fee690..60a70170 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/DEM/in.liggghts_init +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/DEM/in.liggghts_init @@ -24,7 +24,7 @@ fix m3 all property/global coefficientRestitution peratomtypepair 1 0.3 fix m4 all property/global coefficientFriction peratomtypepair 1 0.5 # pair style -pair_style gran model hertz tangential history # Hertzian without cohesion +pair_style gran model hertz tangential history pair_coeff * * # timestep, gravity @@ -45,14 +45,15 @@ set atom 1 diameter 0.01106028 density 4300 vx 0 vy 0 vz 0 # screen output compute rke all erotate/sphere -thermo_style custom step atoms ke c_rke vol +thermo_style custom step atoms ke c_rke vol thermo 1000 thermo_modify lost ignore norm no compute_modify thermo_temp dynamic yes # insert the first particles so that dump is not empty run 1 -dump dmp all custom 100 post/dump.liggghts_init id type x y z vx vy vz fx fy fz radius mass +dump dmp all custom 100 ../DEM/post/dump.liggghts_init id type x y z vx vy vz fx fy fz radius mass -run 10 upto -write_restart post/restart/liggghts.restart +run 10 upto + +write_restart ../DEM/post/restart/liggghts.restart diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/DEM/in.liggghts_run b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/DEM/in.liggghts_run index f638202b..673786b7 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/DEM/in.liggghts_run +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/DEM/in.liggghts_run @@ -1,4 +1,4 @@ -# Pour granular particles into chute container, then induce flow +# chemistry test case log ../DEM/log.liggghts thermo_log ../DEM/post/thermo.txt @@ -26,7 +26,7 @@ fix m3 all property/global coefficientRestitution peratomtypepair 1 0.3 fix m4 all property/global coefficientFriction peratomtypepair 1 0.5 # pair style -pair_style gran model hertz tangential history # Hertzian without cohesion +pair_style gran model hertz tangential history pair_coeff * * # timestep, gravity @@ -42,8 +42,8 @@ fix zwalls1 all wall/gran model hertz tangential history primitive type 1 zp fix zwalls2 all wall/gran model hertz tangential history primitive type 1 zplane 0.5 # Thermal properties -fix ftco all property/global thermalConductivity peratomtype 1.4 -fix ftca all property/global thermalCapacity peratomtype 3000 +fix ftco all property/global thermalConductivity peratomtype 1.4 +fix ftca all property/global thermalCapacity peratomtype 3000 ############################################### @@ -52,7 +52,7 @@ fix cfd all couple/cfd couple_every 50 mpi fix cfd2 all couple/cfd/force # this one invokes heat transfer calculation, transfers per-particle temperature and adds convective heat flux to particles -fix tconv all couple/cfd/convection T0 1221 +fix tconv all couple/cfd/convection T0 1221 # this should invoke chemistry fix cfd3 all couple/cfd/chemistry n_species 3 species_names CO CO2 N2 n_diff 1 diffusant_names CO @@ -65,46 +65,47 @@ fix k0_CO all property/atom k0_cfd5 vector yes no no 17 25 2700 fix Ea_CO all property/atom Ea_cfd5 vector yes no no 69488 73674 113859 # particle porosity/tortuosity/pore diameter -fix porosity all property/atom porosity_ vector yes no no 0.65 0.31 0.16 0.15 -fix tortuosity all property/global tortuosity_ scalar 3 -fix pore_diameter all property/global pore_diameter_ scalar 5.5e-7 +fix porosity all property/atom porosity_ vector yes no no 0.65 0.31 0.16 0.15 +fix tortuosity all property/global tortuosity_ scalar 3 +fix pore_diameter all property/global pore_diameter_ scalar 5.5e-7 # define layer properties fix LayerRelRadii all property/atom relRadii vector yes no no 1.0 0.998 0.995 0.98 ### define fix for mass layer - initial testing -fix LayerMasses all property/atom massLayer vector yes no no 0. 0. 0. 0. -fix LayerDennsities all property/global density_all vector 7870. 5740. 5170. 5240. +fix LayerMasses all property/atom massLayer vector yes no no 0. 0. 0. 0. +fix LayerDennsities all property/global density_all vector 7870. 5740. 5170. 5240. ## define fix for rho_eff and fracRed - initialize as zero -fix fracRed all property/atom fracRed_all vector yes no no 0. 0. 0. -fix rhoeff all property/atom rhoeff vector yes no no 0. 0. 0. 0. +fix fracRed all property/atom fracRed_all vector yes no no 0. 0. 0. +fix rhoeff all property/atom rhoeff vector yes no no 0. 0. 0. 0. ############### # Write data into files for post-processing -variable WI equal 10 -variable time equal time -variable m1 equal mass[1] -variable rp equal radius[1] -variable rho1 equal mass[1]/((4/3)*PI*radius[1]*radius[1]*radius[1]) +variable WI equal 10 +variable time equal time +variable m1 equal mass[1] +variable rp equal radius[1] +variable rho1 equal mass[1]/((4/3)*PI*radius[1]*radius[1]*radius[1]) + fix printmass all print ${WI} "${time} ${m1} ${rho1} ${rp}" file mass_rho_rad.txt title "#time mass rho rad_par" # compute kinetic energy of particles to see if they are moving changing compute KinEn all ke -variable ke_tot equal c_KinEn +variable ke_tot equal c_KinEn # print total kinetic energy -fix printCompute all print ${WI} "${time} ${ke_tot}" file printKE.txt title "#time ke_tot" +fix printCompute all print ${WI} "${time} ${ke_tot}" file printKE.txt title "#time ke_tot" compute Ea_CO all reduce sum f_Ea_CO[1] f_Ea_CO[2] f_Ea_CO[3] -fix Ea all ave/time 1 1 1 c_Ea_CO[1] c_Ea_CO[2] c_Ea_CO[3] -variable Ea1 equal f_Ea[1] -variable Ea2 equal f_Ea[2] -variable Ea3 equal f_Ea[3] +fix Ea all ave/time 1 1 1 c_Ea_CO[1] c_Ea_CO[2] c_Ea_CO[3] +variable Ea1 equal f_Ea[1] +variable Ea2 equal f_Ea[2] +variable Ea3 equal f_Ea[3] compute k0CO all reduce sum f_k0_CO[1] f_k0_CO[2] f_k0_CO[3] -fix k0 all ave/time 1 1 1 c_k0CO[1] c_k0CO[2] c_k0CO[3] +fix k0 all ave/time 1 1 1 c_k0CO[1] c_k0CO[2] c_k0CO[3] variable k01 equal f_k0[1] variable k02 equal f_k0[2] variable k03 equal f_k0[3] @@ -116,28 +117,28 @@ fix printk0Ea all print ${WI} "${time} ${Ea1} ${Ea2} ${Ea3} ${k01} ${k02} ${k03} # Diffusion Coefficient for CO and H2 compute COdiff all reduce sum f_CO_diffCoeff -fix diffField_CO all ave/time 1 1 1 c_COdiff +fix diffField_CO all ave/time 1 1 1 c_COdiff variable CO_diffCo equal f_diffField_CO -fix printDCoeff all print ${WI} "${time} ${CO_diffCo}" file DiffCoeff.dat title "#time CO_diffCoeff" +fix printDCoeff all print ${WI} "${time} ${CO_diffCo}" file DiffCoeff.dat title "#time CO_diffCoeff" ############### # Specific Resistance terms depending on reacting gases compute ACOd1 all reduce sum f_Aterm_cfd5[1] f_Aterm_cfd5[2] f_Aterm_cfd5[3] -fix ACOd1 all ave/time 1 1 1 c_ACOd1[1] c_ACOd1[2] c_ACOd1[3] +fix ACOd1 all ave/time 1 1 1 c_ACOd1[1] c_ACOd1[2] c_ACOd1[3] variable a_CO_1 equal f_ACOd1[1] variable a_CO_2 equal f_ACOd1[2] variable a_CO_3 equal f_ACOd1[3] compute BCOd1 all reduce sum f_Bterm_cfd5[1] f_Bterm_cfd5[2] f_Bterm_cfd5[3] -fix BCOd1 all ave/time 10 1 10 c_BCOd1[1] c_BCOd1[2] c_BCOd1[3] +fix BCOd1 all ave/time 10 1 10 c_BCOd1[1] c_BCOd1[2] c_BCOd1[3] variable b_CO_1 equal f_BCOd1[1] variable b_CO_2 equal f_BCOd1[2] variable b_CO_3 equal f_BCOd1[3] compute MCOd1 all reduce sum f_Massterm_cfd5 -fix MTCOd1 all ave/time 10 1 10 c_MCOd1 +fix MTCOd1 all ave/time 10 1 10 c_MCOd1 variable mt_CO equal f_MTCOd1 fix printAterm all print ${WI} "${time} ${a_CO_1} ${a_CO_2} ${a_CO_3}" file Aterm.dat title "#time a_CO_1 aCO_2 a_CO_3" @@ -151,7 +152,7 @@ fix printMassTerm all print ${WI} "${time} ${mt_CO}" file MassTerm.dat title "#t ############### # print out rate change of mass for gaseous reactant compute dmdot all reduce sum f_dmA_cfd5[1] f_dmA_cfd5[2] f_dmA_cfd5[3] -fix dmA_val all ave/time 1 1 1 c_dmdot[1] c_dmdot[2] c_dmdot[3] +fix dmA_val all ave/time 1 1 1 c_dmdot[1] c_dmdot[2] c_dmdot[3] variable dmdot_1 equal f_dmA_val[1] variable dmdot_2 equal f_dmA_val[2] variable dmdot_3 equal f_dmA_val[3] @@ -159,7 +160,7 @@ variable dmdot_3 equal f_dmA_val[3] fix printdmdot all print ${WI} "${time} ${dmdot_1} ${dmdot_2} ${dmdot_3}" file dmdot.dat title "#time dmdot_1 dmdot_2 dmdot_3" compute fr_1 all reduce sum f_fracRed[1] f_fracRed[2] f_fracRed[3] -fix fr_d1 all ave/time 1 1 1 c_fr_1[1] c_fr_1[2] c_fr_1[3] +fix fr_d1 all ave/time 1 1 1 c_fr_1[1] c_fr_1[2] c_fr_1[3] variable fr_d1_1 equal f_fr_d1[1] variable fr_d1_2 equal f_fr_d1[2] variable fr_d1_3 equal f_fr_d1[3] @@ -171,20 +172,20 @@ fix printfr1 all print ${WI} "${time} ${fr_d1_1} ${fr_d1_2} ${fr_d1_3} ${frOV_d1 ############################################### ## Check Layer Radii and Write them to files ### -compute layerRad1 all reduce sum f_LayerRelRadii[1] -fix redRad1 all ave/time 1 1 1 c_layerRad1 +compute layerRad1 all reduce sum f_LayerRelRadii[1] +fix redRad1 all ave/time 1 1 1 c_layerRad1 variable rr1 equal f_redRad1 compute layerRad2 all reduce sum f_LayerRelRadii[2] -fix redRad2 all ave/time 1 1 1 c_layerRad2 +fix redRad2 all ave/time 1 1 1 c_layerRad2 variable rr2 equal f_redRad2 compute layerRad3 all reduce sum f_LayerRelRadii[3] -fix redRad3 all ave/time 1 1 1 c_layerRad3 +fix redRad3 all ave/time 1 1 1 c_layerRad3 variable rr3 equal f_redRad3 compute layerRad4 all reduce sum f_LayerRelRadii[4] -fix redRad4 all ave/time 1 1 1 c_layerRad4 +fix redRad4 all ave/time 1 1 1 c_layerRad4 variable rr4 equal f_redRad4 fix printRelRadii all print ${WI} "${time} ${rr1} ${rr2} ${rr3} ${rr4}" file relRadii.dat title "#time relRad_1 relRad_2 relRad_3 relRad_4" @@ -197,5 +198,6 @@ thermo 10 thermo_modify lost ignore norm no compute_modify thermo_temp dynamic yes -dump dmp all custom 100 ../DEM/post/dump*.liggghts_run id type x y z vx vy vz fx fy fz radius mass f_fracRed[1] f_fracRed[2] f_fracRed[3] -run 1 +dump dmp all custom 100 ../DEM/post/dump*.liggghts_run id type x y z vx vy vz fx fy fz radius mass f_fracRed[1] f_fracRed[2] f_fracRed[3] + +run 1 diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/README b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/README index 6db9fda8..bec3c204 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/README +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/README @@ -1,6 +1,6 @@ Keq W-> Fe - Keq_ = exp(2744.63/T-2.946); + Keq_ = exp(2744.63/T-2.946); M-> W - Keq_ = exp(-3585.64/T+4.58); + Keq_ = exp(-3585.64/T+4.58); H-> M - Keq_ = exp(3968.37/T+3.94); + Keq_ = exp(3968.37/T+3.94); diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/parCFDDEMrun.sh b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/parCFDDEMrun.sh index ec6c115f..00166c8c 100755 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/parCFDDEMrun.sh +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/parCFDDEMrun.sh @@ -1,9 +1,8 @@ #!/bin/bash #===================================================================# -# allrun script for testcase as part of test routine -# run settlingTest CFD part -# Christoph Goniva - Feb. 2011 +# allrun script for testcase +# M. Efe Kinaci - Sep 2019 #===================================================================# #- source CFDEM env vars diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/parDEMrun.sh b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/parDEMrun.sh index 3b9653f8..bdf87ec6 100755 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/parDEMrun.sh +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/parDEMrun.sh @@ -1,9 +1,8 @@ #!/bin/bash #===================================================================# -# DEMrun script for ErgunTestMPI testcase -# init ErgunTestMPI -# Christoph Goniva - July 2014 +# DEMrun script for testcase +# M. Efe Kinaci - Sep 2019 #===================================================================# #- source CFDEM env vars From ef43a2b5e4771d70f8d910884921b8d6c0def700 Mon Sep 17 00:00:00 2001 From: Daniel Queteschiner Date: Thu, 19 Sep 2019 13:33:34 +0200 Subject: [PATCH 85/92] replace $casePath/CFD with $FOAM_CASE [ci skip] --- .../ISO4695/CFD/constant/couplingProperties | 18 +++++++++--------- .../CFD/constant/thermophysicalProperties | 4 ++-- 2 files changed, 11 insertions(+), 11 deletions(-) diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/constant/couplingProperties b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/constant/couplingProperties index 83b19387..f20a7276 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/constant/couplingProperties +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/constant/couplingProperties @@ -101,19 +101,19 @@ heatTransferGunnProps speciesProps { - ChemistryFile "$casePath/CFD/constant/foam.inp"; - Nevery 1; - verbose false; - interpolation false; + ChemistryFile "$FOAM_CASE/constant/foam.inp"; + Nevery 1; + verbose false; + interpolation false; } diffusionCoefficientsProps { - verbose false; - interpolation false; - ChemistryFile "$casePath/CFD/constant/foam.inp"; - diffusantGasNames ( CO - ); + verbose false; + interpolation false; + ChemistryFile "$FOAM_CASE/constant/foam.inp"; + diffusantGasNames ( CO + ); } massTransferCoeffProps diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/constant/thermophysicalProperties b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/constant/thermophysicalProperties index 003de212..e8ab5108 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/constant/thermophysicalProperties +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/constant/thermophysicalProperties @@ -28,9 +28,9 @@ thermoType chemistryReader foamChemistryReader; -foamChemistryThermoFile "$casePath/CFD/constant/foam.dat"; +foamChemistryThermoFile "$FOAM_CASE/constant/foam.dat"; -foamChemistryFile "$casePath/CFD/constant/foam.inp"; +foamChemistryFile "$FOAM_CASE/constant/foam.inp"; inertSpecie N2; From 4cb4132cf01744a3425e419e93d85915ddbb523d Mon Sep 17 00:00:00 2001 From: Daniel Queteschiner Date: Thu, 19 Sep 2019 13:47:43 +0200 Subject: [PATCH 86/92] remove temporary file [ci skip] --- .../CFD/constant/polyMesh/.blockMeshDict.swp | Bin 1024 -> 0 bytes 1 file changed, 0 insertions(+), 0 deletions(-) delete mode 100644 tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/polyMesh/.blockMeshDict.swp diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/polyMesh/.blockMeshDict.swp b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/polyMesh/.blockMeshDict.swp deleted file mode 100644 index c91a9d3065beaa1787e5d817dab0093083017671..0000000000000000000000000000000000000000 GIT binary patch literal 0 HcmV?d00001 literal 1024 zcmeH@!3x4K42E~}HN49jnLdG=-UdVQJi0F0vbHI0C-d!f>@tMCfGmgb^XDTZf3vsT z(l%p9mL;>=?2@EYmJ2mA7v#jHEru?VTY$bcNHPc$4f&-wms1ziJFV<9H9SQ0X~qt0 zfY?X!it7O4(W1GLexbigs+4gWbBP8j?xPYKYh~*b4dXTtWJBaOf+PJdF-T}MiEdPd S5^?#ub+RV#_X*s8Kl}ik6Ffcu From 069aaed120590966dcbcdc68c114d53d342019df Mon Sep 17 00:00:00 2001 From: Daniel Queteschiner Date: Thu, 19 Sep 2019 13:52:39 +0200 Subject: [PATCH 87/92] ignore temporary files from VIM [ci skip] --- .gitignore | 2 ++ 1 file changed, 2 insertions(+) diff --git a/.gitignore b/.gitignore index b4b35554..2ac20489 100644 --- a/.gitignore +++ b/.gitignore @@ -5,6 +5,8 @@ log_* log.* *~ +*.swp +*.swo **/linux*Gcc*/ **/.vscode From 6da1afb45006bc3b7765ffe5bff9e1c864f6fbd5 Mon Sep 17 00:00:00 2001 From: Daniel Queteschiner Date: Thu, 19 Sep 2019 15:45:28 +0200 Subject: [PATCH 88/92] add execution of DEM init script to Allrun.sh --- .../PolydisperseFluidizedBed/R2_FB/Allrun.sh | 9 ++++++++- 1 file changed, 8 insertions(+), 1 deletion(-) diff --git a/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/Allrun.sh b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/Allrun.sh index 184e2a3e..c3465bdf 100755 --- a/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/Allrun.sh +++ b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/Allrun.sh @@ -18,5 +18,12 @@ export casePath cd $casePath/CFD/ blockMesh +if [ -f "$casePath/DEM/post/restart/liggghts.restart" ]; then + echo "LIGGGHTS init was run before - using existing restart file" +else + #- run DEM in new terminal + $casePath/parDEMrun.sh +fi + echo "Run Simulation" -bash $casePath/parCFDDEMrun.sh +bash $casePath/parCFDDEMrun.sh From 838e0851b1603e69b3fdc9b9ba33b16854c8d786 Mon Sep 17 00:00:00 2001 From: Daniel Queteschiner Date: Thu, 19 Sep 2019 15:45:44 +0200 Subject: [PATCH 89/92] adjust case decomposition --- .../R2_FB/CFD/system/decomposeParDict | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/system/decomposeParDict b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/system/decomposeParDict index 7fe2c0f0..4a35b543 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/system/decomposeParDict +++ b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/system/decomposeParDict @@ -15,14 +15,14 @@ FoamFile } // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // -numberOfSubdomains 8; +numberOfSubdomains 4; //method scotch; method simple; simpleCoeffs { - n (2 2 2); + n (2 1 2); delta 0.001; } From 75f132450f4e28e32e8cd720c4abb354baffe135 Mon Sep 17 00:00:00 2001 From: Daniel Queteschiner Date: Thu, 19 Sep 2019 15:48:05 +0200 Subject: [PATCH 90/92] use different controlDict for test harness runs original case runtime is too long for test harness execution --- .../R2_FB/CFD/system/controlDict_test | 229 ++++++++++++++++++ .../PolydisperseFluidizedBed/R2_FB/prerun.sh | 5 +- 2 files changed, 233 insertions(+), 1 deletion(-) create mode 100644 tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/system/controlDict_test diff --git a/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/system/controlDict_test b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/system/controlDict_test new file mode 100644 index 00000000..392d4c15 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/system/controlDict_test @@ -0,0 +1,229 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + location "system"; + object controlDict; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +application cfdemSolverRhoPimpleChem; + +startFrom startTime; + +startTime 0.0; + +stopAt endTime; + +endTime 0.12; + +deltaT 0.00025; + +writeControl runTime; //timeStep; + +writeInterval 0.02; //5000; + +purgeWrite 0; + +writeFormat ascii; + +writePrecision 6; + +writeCompression off; + +timeFormat general; + +timePrecision 6; + +runTimeModifiable true; + +adjustTimeStep no; + +maxCo 0.5; + +maxDeltaT 0.1; + + +// ************************************************************************* // +libs +( + "libfieldFunctionObjects.so" +); + +functions +{ + moleFrac + { + type rhoReactionThermoMoleFractions; + } + + probes1 + { + type probes; + + functionObjectLibs ("libsampling.so"); + + #include "probesDict"; + } + + + fieldMinMax_T + { + type fieldMinMax; + libs ("libfieldFunctionObjects.so"); + fields (T); + // Report the location of the field extrema + location yes; + // Type of extrema for rank > 0 primitives + mode magnitude; // magnitude | component + } + + fieldMinMax_Cpv + { + type fieldMinMax; + libs ("libfieldFunctionObjects.so"); + fields (Cpv); + // Report the location of the field extrema + location yes; + // Type of extrema for rank > 0 primitives + mode magnitude; // magnitude | component + } + + fieldMinMax_partTemp + { + type fieldMinMax; + libs ("libfieldFunctionObjects.so"); + fields (partTemp); + location yes; + mode magnitude; + } + + globalMassFrac + { + type volRegion; + libs ("libfieldFunctionObjects.so"); + writeControl timeStep;//outputTime; + writeInterval 1; + log true; + writeFields false; + regionType all; + name c0; + operation weightedVolAverage; + weightField rhoeps; + fields + ( + H2 + H2O + CO2 + CO + N2 + ); + } + + globalMass + { + type volRegion; + libs ("libfieldFunctionObjects.so"); + writeControl timeStep;//outputTime; + writeInterval 1; + log true; + writeFields false; + regionType all; + name c1; + operation volIntegrate; + fields + ( + rhoeps + rho + ); + } + + inflow_GasSpecies + { + type surfaceRegion; + libs ("libfieldFunctionObjects.so"); + writeControl timeStep; + writeInterval 100; + log true; + // Output field values as well + writeFields false; + regionType patch; + name inlet; + operation sum;//areaIntegrate; + + fields + ( + CO + CO2 + H2 + H2O + N2 + ); + } + + inflow_phi + { + type surfaceRegion; + libs ("libfieldFunctionObjects.so"); + writeControl timeStep; + writeInterval 100; + log true; + // Output field values as well + writeFields false; + regionType patch; + name inlet; + operation sum;//areaIntegrate; + + fields + ( + phi + ); + } + + inflow_U + { + type surfaceRegion; + libs ("libfieldFunctionObjects.so"); + writeControl timeStep; + writeInterval 100; + log true; + // Output field values as well + writeFields false; + regionType patch; + name inlet; + operation sum;//areaIntegrate; + + fields + ( + U + ); + } + + outflow_GasSpecies + { + $inflow_GasSpecies; + name outlet; + } + + outflow_phi + { + $inflow_phi; + name outlet; + } + + outflow_U + { + $inflow_U; + name outlet; + } +} + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/prerun.sh b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/prerun.sh index 7b370ae7..981b75be 100755 --- a/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/prerun.sh +++ b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/prerun.sh @@ -10,4 +10,7 @@ else echo "mesh needs to be built" cd $casePath/CFD blockMesh -fi \ No newline at end of file +fi + +# adapt settings for test harness run +cp $casePath/CFD/system/controlDict_test $casePath/CFD/system/controlDict From e452aa7929f46fedd85d4c7d79833f7c05c3fe6b Mon Sep 17 00:00:00 2001 From: Daniel Queteschiner Date: Thu, 19 Sep 2019 16:38:12 +0200 Subject: [PATCH 91/92] clean up parCFDDEMrun.sh files perform clean up via Allclean.sh scripts --- .../PolydisperseFluidizedBed/R2_FB/parCFDDEMrun.sh | 12 ------------ .../30CO6H2_Hematite/parCFDDEMrun.sh | 12 ------------ .../33CO3H2_Hematite/parCFDDEMrun.sh | 12 ------------ .../GOD0k1_Hematite/parCFDDEMrun.sh | 12 ------------ .../SingleParticleCases/ISO4695/parCFDDEMrun.sh | 12 ------------ 5 files changed, 60 deletions(-) diff --git a/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/parCFDDEMrun.sh b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/parCFDDEMrun.sh index 319665a4..43a9e715 100755 --- a/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/parCFDDEMrun.sh +++ b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/parCFDDEMrun.sh @@ -81,15 +81,3 @@ if [ $postproc == "true" ] fi -#- clean up case -#echo "deleting data at: $casePath :\n" -#source $WM_PROJECT_DIR/bin/tools/CleanFunctions -#cd $casePath/CFD -#cleanCase -#rm -r $casePath/CFD/clockData -#rm $casePath/DEM/post/*.* -#touch $casePath/DEM/post/.gitignore -#rm $casePath/DEM/post/restart/*.* -#rm $casePath/DEM/post/restart/liggghts.restartCFDEM* -#touch $casePath/DEM/post/restart/.gitignore -#echo "done" diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/parCFDDEMrun.sh b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/parCFDDEMrun.sh index 6c41b724..e1bff030 100755 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/parCFDDEMrun.sh +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/parCFDDEMrun.sh @@ -81,15 +81,3 @@ if [ $postproc == "true" ] fi -#- clean up case -#echo "deleting data at: $casePath :\n" -#source $WM_PROJECT_DIR/bin/tools/CleanFunctions -#cd $casePath/CFD -#cleanCase -#rm -r $casePath/CFD/clockData -#rm $casePath/DEM/post/*.* -#touch $casePath/DEM/post/.gitignore -#rm $casePath/DEM/post/restart/*.* -#rm $casePath/DEM/post/restart/liggghts.restartCFDEM* -#touch $casePath/DEM/post/restart/.gitignore -#echo "done" diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/parCFDDEMrun.sh b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/parCFDDEMrun.sh index 43a7ad27..d8476cfe 100755 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/parCFDDEMrun.sh +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/parCFDDEMrun.sh @@ -81,15 +81,3 @@ if [ $postproc == "true" ] fi -#- clean up case -#echo "deleting data at: $casePath :\n" -#source $WM_PROJECT_DIR/bin/tools/CleanFunctions -#cd $casePath/CFD -#cleanCase -#rm -r $casePath/CFD/clockData -#rm $casePath/DEM/post/*.* -#touch $casePath/DEM/post/.gitignore -#rm $casePath/DEM/post/restart/*.* -#rm $casePath/DEM/post/restart/liggghts.restartCFDEM* -#touch $casePath/DEM/post/restart/.gitignore -#echo "done" diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/parCFDDEMrun.sh b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/parCFDDEMrun.sh index efacb771..eb51a21a 100755 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/parCFDDEMrun.sh +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/parCFDDEMrun.sh @@ -81,15 +81,3 @@ if [ $postproc == "true" ] fi -#- clean up case -#echo "deleting data at: $casePath :\n" -#source $WM_PROJECT_DIR/bin/tools/CleanFunctions -#cd $casePath/CFD -#cleanCase -#rm -r $casePath/CFD/clockData -#rm $casePath/DEM/post/*.* -#touch $casePath/DEM/post/.gitignore -#rm $casePath/DEM/post/restart/*.* -#rm $casePath/DEM/post/restart/liggghts.restartCFDEM* -#touch $casePath/DEM/post/restart/.gitignore -#echo "done" diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/parCFDDEMrun.sh b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/parCFDDEMrun.sh index 00166c8c..68acebf8 100755 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/parCFDDEMrun.sh +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/parCFDDEMrun.sh @@ -81,15 +81,3 @@ if [ $postproc == "true" ] fi -#- clean up case -#echo "deleting data at: $casePath :\n" -#source $WM_PROJECT_DIR/bin/tools/CleanFunctions -#cd $casePath/CFD -#cleanCase -#rm -r $casePath/CFD/clockData -#rm $casePath/DEM/post/*.* -#touch $casePath/DEM/post/.gitignore -#rm $casePath/DEM/post/restart/*.* -#rm $casePath/DEM/post/restart/liggghts.restartCFDEM* -#touch $casePath/DEM/post/restart/.gitignore -#echo "done" From 4ac94e82c7e9475b424408eba22006fa2d236477 Mon Sep 17 00:00:00 2001 From: Daniel Queteschiner Date: Thu, 19 Sep 2019 16:40:07 +0200 Subject: [PATCH 92/92] fix up Allclean.sh scripts [ci skip] note that #!/bin/sh may invoke a different shell than #!/bin/bash --- .../R2_FB/Allclean.sh | 18 ++++------ .../30CO6H2_Hematite/Allclean.sh | 33 +++++-------------- .../33CO3H2_Hematite/Allclean.sh | 33 +++++-------------- .../GOD0k1_Hematite/Allclean.sh | 33 +++++-------------- .../SingleParticleCases/ISO4695/Allclean.sh | 33 +++++-------------- 5 files changed, 38 insertions(+), 112 deletions(-) diff --git a/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/Allclean.sh b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/Allclean.sh index 0a5b74ec..665e1d5d 100755 --- a/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/Allclean.sh +++ b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/Allclean.sh @@ -1,21 +1,15 @@ #!/bin/sh -#cd ${0%/*} || exit 1 # run from this directory +cd ${0%/*} || exit 1 # run from this directory # Source tutorial run functions . $WM_PROJECT_DIR/bin/tools/CleanFunctions -source $CFDEM_PROJECT_DIR/etc/functions.sh -#- define variables -casePath="$(dirname "$(readlink -f ${BASH_SOURCE[0]})")" -cd $casePath/CFD +cd CFD cleanCase -rm $casePath/log* +cd - -rm $casePath/DEM/post/liggghts_run* -rm $casePath/DEM/post/dump.liggghts_run -#mkdir $casePath/DEM/post -#mkdir $casePath/DEM/post/restart -#cd $casePath/DEM/post/restart -#touch liggghts.restart +rm -f log* + +rm ./DEM/post/dump* # ----------------------------------------------------------------- end-of-file diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/Allclean.sh b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/Allclean.sh index a27b0fac..b2a417c8 100755 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/Allclean.sh +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/Allclean.sh @@ -1,35 +1,18 @@ #!/bin/sh -#cd ${0%/*} || exit 1 # run from this directory +cd ${0%/*} || exit 1 # run from this directory # Source tutorial run functions . $WM_PROJECT_DIR/bin/tools/CleanFunctions -source $CFDEM_PROJECT_DIR/etc/functions.sh -#- define variables -casePath="$(dirname "$(readlink -f ${BASH_SOURCE[0]})")" -cd $casePath/CFD +cd CFD cleanCase -# rm $casePath/CFD/rmass*.dat -#rm $casePath/CFD/*.dat -#rm $casePath/CFD/*.txt -rm $casePath/log* -#rm $casePath/run_error.log -#cp -R 0/Org/p 0/p -#cp -R 0/Org/U 0/U -#cp -R 0/Org/Us 0/Us -#cp -R 0/Org/phiIB 0/phiIB -#cp -R 0/Org/voidfraction 0/voidfraction +cd - -rm -R $casePath/DEM/post -mkdir $casePath/DEM/post -mkdir $casePath/DEM/post/restart -#cd $casePath/DEM/post/restart -#touch liggghts.restart +rm -f log* -## if postproc is activated (in fix_chem_shrink) -#rm $casePath/changeOfCO2 -#rm $casePath/changeOfO2 -#rm $casePath/rhogas_ -#rm $casePath/pmass_ +rm -r ./DEM/post +mkdir ./DEM/post +mkdir ./DEM/post/restart +touch ./DEM/post/restart/.gitignore # ----------------------------------------------------------------- end-of-file diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/Allclean.sh b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/Allclean.sh index a27b0fac..b2a417c8 100755 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/Allclean.sh +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/Allclean.sh @@ -1,35 +1,18 @@ #!/bin/sh -#cd ${0%/*} || exit 1 # run from this directory +cd ${0%/*} || exit 1 # run from this directory # Source tutorial run functions . $WM_PROJECT_DIR/bin/tools/CleanFunctions -source $CFDEM_PROJECT_DIR/etc/functions.sh -#- define variables -casePath="$(dirname "$(readlink -f ${BASH_SOURCE[0]})")" -cd $casePath/CFD +cd CFD cleanCase -# rm $casePath/CFD/rmass*.dat -#rm $casePath/CFD/*.dat -#rm $casePath/CFD/*.txt -rm $casePath/log* -#rm $casePath/run_error.log -#cp -R 0/Org/p 0/p -#cp -R 0/Org/U 0/U -#cp -R 0/Org/Us 0/Us -#cp -R 0/Org/phiIB 0/phiIB -#cp -R 0/Org/voidfraction 0/voidfraction +cd - -rm -R $casePath/DEM/post -mkdir $casePath/DEM/post -mkdir $casePath/DEM/post/restart -#cd $casePath/DEM/post/restart -#touch liggghts.restart +rm -f log* -## if postproc is activated (in fix_chem_shrink) -#rm $casePath/changeOfCO2 -#rm $casePath/changeOfO2 -#rm $casePath/rhogas_ -#rm $casePath/pmass_ +rm -r ./DEM/post +mkdir ./DEM/post +mkdir ./DEM/post/restart +touch ./DEM/post/restart/.gitignore # ----------------------------------------------------------------- end-of-file diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/Allclean.sh b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/Allclean.sh index a27b0fac..b2a417c8 100755 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/Allclean.sh +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/Allclean.sh @@ -1,35 +1,18 @@ #!/bin/sh -#cd ${0%/*} || exit 1 # run from this directory +cd ${0%/*} || exit 1 # run from this directory # Source tutorial run functions . $WM_PROJECT_DIR/bin/tools/CleanFunctions -source $CFDEM_PROJECT_DIR/etc/functions.sh -#- define variables -casePath="$(dirname "$(readlink -f ${BASH_SOURCE[0]})")" -cd $casePath/CFD +cd CFD cleanCase -# rm $casePath/CFD/rmass*.dat -#rm $casePath/CFD/*.dat -#rm $casePath/CFD/*.txt -rm $casePath/log* -#rm $casePath/run_error.log -#cp -R 0/Org/p 0/p -#cp -R 0/Org/U 0/U -#cp -R 0/Org/Us 0/Us -#cp -R 0/Org/phiIB 0/phiIB -#cp -R 0/Org/voidfraction 0/voidfraction +cd - -rm -R $casePath/DEM/post -mkdir $casePath/DEM/post -mkdir $casePath/DEM/post/restart -#cd $casePath/DEM/post/restart -#touch liggghts.restart +rm -f log* -## if postproc is activated (in fix_chem_shrink) -#rm $casePath/changeOfCO2 -#rm $casePath/changeOfO2 -#rm $casePath/rhogas_ -#rm $casePath/pmass_ +rm -r ./DEM/post +mkdir ./DEM/post +mkdir ./DEM/post/restart +touch ./DEM/post/restart/.gitignore # ----------------------------------------------------------------- end-of-file diff --git a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/Allclean.sh b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/Allclean.sh index a27b0fac..b2a417c8 100755 --- a/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/Allclean.sh +++ b/tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/Allclean.sh @@ -1,35 +1,18 @@ #!/bin/sh -#cd ${0%/*} || exit 1 # run from this directory +cd ${0%/*} || exit 1 # run from this directory # Source tutorial run functions . $WM_PROJECT_DIR/bin/tools/CleanFunctions -source $CFDEM_PROJECT_DIR/etc/functions.sh -#- define variables -casePath="$(dirname "$(readlink -f ${BASH_SOURCE[0]})")" -cd $casePath/CFD +cd CFD cleanCase -# rm $casePath/CFD/rmass*.dat -#rm $casePath/CFD/*.dat -#rm $casePath/CFD/*.txt -rm $casePath/log* -#rm $casePath/run_error.log -#cp -R 0/Org/p 0/p -#cp -R 0/Org/U 0/U -#cp -R 0/Org/Us 0/Us -#cp -R 0/Org/phiIB 0/phiIB -#cp -R 0/Org/voidfraction 0/voidfraction +cd - -rm -R $casePath/DEM/post -mkdir $casePath/DEM/post -mkdir $casePath/DEM/post/restart -#cd $casePath/DEM/post/restart -#touch liggghts.restart +rm -f log* -## if postproc is activated (in fix_chem_shrink) -#rm $casePath/changeOfCO2 -#rm $casePath/changeOfO2 -#rm $casePath/rhogas_ -#rm $casePath/pmass_ +rm -r ./DEM/post +mkdir ./DEM/post +mkdir ./DEM/post/restart +touch ./DEM/post/restart/.gitignore # ----------------------------------------------------------------- end-of-file