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Merge branch 'feature/cfdemSolverRhoPimple' of https://github.com/ParticulateFlow/CFDEMcoupling into feature/cfdemSolverRhoPimple

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Thomas Lichtenegger
2017-06-30 10:15:52 +02:00
parent 9b6a643b0d 4a3496a48f
commit 512f28c9a0
7 changed files with 66 additions and 99 deletions
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52
src/lagrangian/cfdemParticle/subModels/chemistryModel/diffusionCoefficients/diffusionCoefficients.C
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@ -67,28 +67,26 @@ diffusionCoefficient::diffusionCoefficient
),
// create a list from the Species table in the specified diffusionCoefficient dictionary
speciesNames_(specDict_.lookup("species")),
tempFieldName_(propsDict_.lookup("tempFieldName")),
tempFieldName_(propsDict_.lookupOrDefault<word>("tempFieldName","T")),
tempField_(sm.mesh().lookupObject<volScalarField> (tempFieldName_)),
pressureFieldName_(propsDict_.lookup("pressureFieldName")),
pressureFieldName_(propsDict_.lookupOrDefault<word>("pressureFieldName","p")),
P_(sm.mesh().lookupObject<volScalarField>(pressureFieldName_)),
densityFieldName_(propsDict_.lookup("densityFieldName")),
densityFieldName_(propsDict_.lookupOrDefault<word>("densityFieldName","rho")),
rho_(sm.mesh().lookupObject<volScalarField> (densityFieldName_)),
totalMoleFieldName_(propsDict_.lookup("totalMoleFieldName")),
totalMoleFieldName_(propsDict_.lookupOrDefault<word>("totalMoleFieldName","N")),
// needed to calculate the mixture diffusion coefficient
// dcoeff is dependent on molar fraction not mass fraction
N_(sm.mesh().lookupObject<volScalarField>(totalMoleFieldName_)),
Y_(speciesNames_.size()),
// X_(speciesNames_.size()),
diffusantGasNames_(propsDict_.lookup("diffusantGasNames")),
diffusionCoefficients_(diffusantGasNames_.size(),NULL)
/* diffusionCoefficientNames_(propsDict_.lookup("diffusionCoefficientNames")),
//volumeScalarFields created in the ts folders
diffusionCoefficients_(diffusionCoefficientNames_.size(),NULL), //the value of diffusionCoefficient concentration for every diffusionCoefficient
*/
diffusionCoefficients_(diffusantGasNames_.size(),NULL),
X_(diffusantGasNames_.size(), NULL)
{
Info << " Reading diffusionCoefficient list: " << diffusantGasNames_ << endl;
for (int i = 0; i < diffusantGasNames_.size(); i++)
{
Info << "Diffusant names: " << diffusantGasNames_[i] << endl;
}
for (int i=0; i<speciesNames_.size(); i++)
{
@ -98,28 +96,6 @@ diffusionCoefficient::diffusionCoefficient
particleCloud_.checkCG(false);
}
// if mole fractions field should be generated ??
/*forAll(Y, i)
{
X_.set
(
i,
new volScalarField
(
IOobject
(
"X_" + Y_[i].name(),
mesh_.time().timeName(),
mesh_,
IOobject::NO_READ,
IOobject::AUTO_WRITE
),
mesh_,
dimensionedScalar("X", dimless, 0)
)
);
} */
allocateMyArrays();
createCoeffs();
molWeightTable();
@ -136,6 +112,7 @@ diffusionCoefficient::~diffusionCoefficient()
for (int i=0; i<diffusantGasNames_.size(); i++)
{
particleCloud_.dataExchangeM().destroy(diffusionCoefficients_[i],nP_);
particleCloud_.dataExchangeM().destroy(X_[i], nP_);
}
}
@ -148,7 +125,7 @@ diffusionCoefficient::~diffusionCoefficient()
for (int i=0; i<diffusantGasNames_.size(); i++)
{
particleCloud_.dataExchangeM().allocateArray(diffusionCoefficients_[i],initVal,1,"nparticles");
particleCloud_.dataExchangeM().allocateArray(X_[i],initVal,1,"nparticles");
}
}
}
@ -162,6 +139,7 @@ void diffusionCoefficient::reAllocMyArrays() const
for (int i=0; i<diffusantGasNames_.size(); i++)
{
particleCloud_.dataExchangeM().allocateArray(diffusionCoefficients_[i],initVal,1);
particleCloud_.dataExchangeM().allocateArray(X_[i],initVal,1);
}
}
}
@ -241,7 +219,7 @@ void diffusionCoefficient::execute()
// and for every reactant gas
for (int j=0; j < speciesNames_.size();j++)
{
// if diffusant gas ans reactant gas are not equal get diffusion coefficients
// if diffusant gas and reactant gas are not equal get diffusion coefficients
if (diffusantGasNames_[i] != speciesNames_[j])
{
Info << "molar weights diffuser gases: " << molWeight(speciesNames_[j]) << nl << endl;
@ -277,6 +255,9 @@ void diffusionCoefficient::execute()
Info << "molar fraction diffusing gases - 2:" << Xfluid_[i] << nl << endl;
Info << "molar fraction stagnant gases - 2:" << Xfluid_[j] << nl << endl;
// fill X array with diffusant gas molar fraction to be transferred to DEM
X_[i][index][0] = Xfluid_[i];
// for now considering only one species is diffusing, the rest of the molar fractions are from
// stagnangt gases we can get the total stagnant gas molar fractions by
Xstag_tot[i] = 1-Xfluid_[i];
@ -346,6 +327,7 @@ void diffusionCoefficient::execute()
for(int i =0; i<diffusantGasNames_.size();i++)
{
Info << "effective diffusionCoefficient of species " << diffusantGasNames_[i] << " = " << diffusionCoefficients_[i][index][0] << endl;
Info << "molar fraction of species" << diffusantGasNames_[i] << " = " << X_[i][index][0] << endl;
}
}
}
@ -354,6 +336,8 @@ void diffusionCoefficient::execute()
{
word pushName = diffusantGasNames_[i] + "_diffCoeff";
particleCloud_.dataExchangeM().giveData(pushName,"scalar-atom",diffusionCoefficients_[i]);
word moleFractionName = "X_" + diffusantGasNames_[i];
particleCloud_.dataExchangeM().giveData(moleFractionName, "scalar-atom", X_[i]);
};
Info << "give data done" << endl;

4
src/lagrangian/cfdemParticle/subModels/chemistryModel/diffusionCoefficients/diffusionCoefficients.H
View File

@ -83,12 +83,12 @@ private:
UPtrList<volScalarField> Y_;
// PtrList<volScalarField> X_;
wordList diffusantGasNames_;
mutable List<double**> diffusionCoefficients_;
mutable List<double**> X_;
HashTable<scalar, word> coeffs;
HashTable<scalar, word> molWeight;

8
src/lagrangian/cfdemParticle/subModels/chemistryModel/massTransferCoeff/massTransferCoeff.C
View File

@ -56,15 +56,15 @@ massTransferCoeff::massTransferCoeff
verbose_(propsDict_.lookupOrDefault<bool>("verbose",false)),
interpolation_(propsDict_.lookupOrDefault<bool>("interpolation",false)),
mesh_(sm.mesh()),
velFieldName_(propsDict_.lookup("velFieldName")),
velFieldName_(propsDict_.lookupOrDefault<word>("velFieldName","U")),
U_(mesh_.lookupObject<volVectorField>(velFieldName_)),
voidfractionFieldName_(propsDict_.lookup("voidfractionFieldName")),
voidfractionFieldName_(propsDict_.lookupOrDefault<word>("voidfractionFieldName","voidfraction")),
voidfraction_(sm.mesh().lookupObject<volScalarField> (voidfractionFieldName_)),
densityFieldName_(propsDict_.lookupOrDefault<word>("densityFieldName","rho")),
rho_(sm.mesh().lookupObject<volScalarField> (densityFieldName_)),
partNuName_(propsDict_.lookup("partNu")),
partNuName_(propsDict_.lookupOrDefault<word>("partViscos","partNu")),
partNu_(NULL),
partReynolds_(propsDict_.lookup("partReynolds")),
partReynolds_(propsDict_.lookupOrDefault<word>("partReynolds","partRe")),
partRe_(NULL)
{}

15
src/lagrangian/cfdemParticle/subModels/chemistryModel/species/species.C
View File

@ -86,20 +86,20 @@ species::species
mesh_,
dimensionedScalar("zero",dimMass/(dimVol*dimTime),0.0)
),
tempFieldName_(propsDict_.lookup("tempFieldName")),
tempFieldName_(propsDict_.lookupOrDefault<word>("tempFieldName","T")),
tempField_(sm.mesh().lookupObject<volScalarField> (tempFieldName_)),
partTempName_(propsDict_.lookup("partTempName")),
partTempName_(propsDict_.lookupOrDefault<word>("partTempName","partTemp")),
partTemp_(NULL),
densityFieldName_(propsDict_.lookup("densityFieldName")),
densityFieldName_(propsDict_.lookupOrDefault<word>("densityFieldName","rho")),
rho_(sm.mesh().lookupObject<volScalarField> (densityFieldName_)),
partRhoName_(propsDict_.lookup("partRhoName")),
partRhoName_(propsDict_.lookupOrDefault<word>("partRhoName","partRho")),
partRho_(NULL),
voidfractionFieldName_(propsDict_.lookup("voidfractionFieldName")),
voidfractionFieldName_(propsDict_.lookupOrDefault<word>("voidfractionFieldName","voidfraction")),
voidfraction_(sm.mesh().lookupObject<volScalarField>(voidfractionFieldName_)),
// total mole field
totalMoleFieldName_(propsDict_.lookup("totalMoleFieldName")),
totalMoleFieldName_(propsDict_.lookupOrDefault<word>("totalMoleFieldName","N")),
N_(sm.mesh().lookupObject<volScalarField>(totalMoleFieldName_)),
partMoleName_(propsDict_.lookup("partMoleName")),
partMoleName_(propsDict_.lookupOrDefault<word>("partMoleName","partN")),
partN_(NULL),
loopCounter_(-1),
Nevery_(propsDict_.lookupOrDefault<label>("Nevery",1)),
@ -226,7 +226,6 @@ void species::execute()
Yfluid_.setSize(speciesNames_.size());
scalar Nfluid(0);
// defining interpolators for T, rho, voidfraction, N
interpolationCellPoint <scalar> TInterpolator_(tempField_);
interpolationCellPoint <scalar> rhoInterpolator_(rho_);

18
tutorials/cfdemSolverRhoPimpleChem/test_case/CFD/constant/couplingProperties
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@ -105,26 +105,14 @@ reactionHeatProps
speciesProps
{
ChemistryFile "$casePath/CFD/constant/foam.inp";
tempFieldName "T";
partTempName "partTemp";
densityFieldName "rho";
partRhoName "partRho";
voidfractionFieldName "voidfraction";
totalMoleFieldName "N";
partMoleName "partN";
pressureFieldName "p";
partPName "partP";
// verbose true;
// Nevery 1;
}
diffusionCoefficientsProps
{
verbose true;
ChemistryFile "$casePath/CFD/constant/foam.inp";
tempFieldName "T";
totalMoleFieldName "N";
pressureFieldName "p";
densityFieldName "rho";
diffusantGasNames ( CO
// H2
);
@ -132,10 +120,6 @@ diffusionCoefficientsProps
massTransferCoeffProps
{
velFieldName "U";
voidfractionFieldName "voidfraction";
partNu "partNu";
partReynolds "partRe";
verbose true;
}

4
tutorials/cfdemSolverRhoPimpleChem/test_case/CFD/system/controlDict
View File

@ -23,13 +23,13 @@ startTime 0;
stopAt endTime;
endTime 5;
endTime 4000;
deltaT 0.1;
writeControl adjustableRunTime; //runTime;//// timeStep; //
writeInterval 0.5;
writeInterval 100;
purgeWrite 0;

48
tutorials/cfdemSolverRhoPimpleChem/test_case/DEM/in.liggghts_run
View File

@ -64,7 +64,7 @@ fix Ea all property/global Ea_cfd5 vector 69488 73674 113859
# particle porosities adn tortuosity
fix porosity all property/global porosity_ scalar 0.15
fix tortuosity all property/global tortuosity_ scalar 3
fix pore_diameter all property/global pore_diameter_ scalar 0.00001 #3.91e-9
fix pore_diameter all property/global pore_diameter_ scalar 3.91e-5 #0.00001 #3.91e-9
# 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
@ -78,38 +78,38 @@ fix integr all nve/sphere
###############################################
## DEBUG ##
#compute masschange all property/atom mass
#compute massreduce all reduce sum c_masschange
#fix rmass all ave/time 100 1 100 c_massreduce file rmass.dat
compute masschange all property/atom mass
compute massreduce all reduce sum c_masschange
fix rmass all ave/time 100 1 100 c_massreduce file rmass.dat
#compute layerRad1 all reduce sum f_layerRelRad[1]
#fix redRad1 all ave/time 100 1 100 c_layerRad1 file relRad1.dat
compute layerRad1 all reduce sum f_layerRelRad[1]
fix redRad1 all ave/time 100 1 100 c_layerRad1 file relRad1.dat
#compute layerRad2 all reduce sum f_layerRelRad[2]
#fix redRad2 all ave/time 100 1 100 c_layerRad2 file relRad2.dat
compute layerRad2 all reduce sum f_layerRelRad[2]
fix redRad2 all ave/time 100 1 100 c_layerRad2 file relRad2.dat
#compute layerRad3 all reduce sum f_layerRelRad[3]
#fix redRad3 all ave/time 100 1 100 c_layerRad3 file relRad3.dat
compute layerRad3 all reduce sum f_layerRelRad[3]
fix redRad3 all ave/time 100 1 100 c_layerRad3 file relRad3.dat
#compute layerRad4 all reduce sum f_layerRelRad[4]
#fix redRad4 all ave/time 100 1 100 c_layerRad4 file relRad4.dat
compute layerRad4 all reduce sum f_layerRelRad[4]
fix redRad4 all ave/time 100 1 100 c_layerRad4 file relRad4.dat
#variable rad_fe atom "f_layerRelRad[1]*radius"
#compute r_fe all reduce sum v_rad_fe
#fix r_fe1 all ave/time 100 1 100 c_r_fe file rfe.dat
variable rad_fe atom "f_layerRelRad[1]*radius"
compute r_fe all reduce sum v_rad_fe
fix r_fe1 all ave/time 100 1 100 c_r_fe file rfe.dat
#variable rad_w atom "f_layerRelRad[2]*radius"
#compute r_w all reduce sum v_rad_w
#fix r_w1 all ave/time 100 1 100 c_r_w file rw.dat
variable rad_w atom "f_layerRelRad[2]*radius"
compute r_w all reduce sum v_rad_w
fix r_w1 all ave/time 100 1 100 c_r_w file rw.dat
#variable rad_m atom "f_layerRelRad[3]*radius"
#compute r_m all reduce sum v_rad_m
#fix r_m1 all ave/time 100 1 100 c_r_m file rm.dat
variable rad_m atom "f_layerRelRad[3]*radius"
compute r_m all reduce sum v_rad_m
fix r_m1 all ave/time 100 1 100 c_r_m file rm.dat
#variable rad_h atom "f_layerRelRad[4]*radius"
#compute r_h all reduce sum v_rad_h
#fix r_h1 all ave/time 100 1 100 c_r_h file rh.dat
variable rad_h atom "f_layerRelRad[4]*radius"
compute r_h all reduce sum v_rad_h
fix r_h1 all ave/time 100 1 100 c_r_h file rh.dat
###############################################
# screen output