From 1e7fc386cc10101774df6c877bc8b68435fec9d9 Mon Sep 17 00:00:00 2001 From: ekinaci Date: Mon, 4 Sep 2017 13:40:35 +0200 Subject: [PATCH] test case for unreacted shrinking core model --- .../Allclean | 35 ++ .../Allrun.sh | 43 +++ .../CFD/0/CO | 51 +++ .../CFD/0/CO2 | 51 +++ .../CFD/0/Ksl | 51 +++ .../CFD/0/N2 | 51 +++ .../CFD/0/O2 | 51 +++ .../CFD/0/Qsource | 51 +++ .../CFD/0/T | 51 +++ .../CFD/0/U | 55 +++ .../CFD/0/Us | 48 +++ .../CFD/0/alphat | 47 +++ .../CFD/0/epsilon | 53 +++ .../CFD/0/k | 47 +++ .../CFD/0/mut | 48 +++ .../CFD/0/nut | 51 +++ .../CFD/0/p | 49 +++ .../CFD/0/p.org | 52 +++ .../CFD/0/rho | 50 +++ .../CFD/0/voidfraction | 50 +++ .../CFD/constant/chemistryProperties | 41 +++ .../CFD/constant/combustionProperties | 33 ++ .../CFD/constant/couplingProperties | 338 ++++++++++++++++++ .../CFD/constant/foam.dat | 185 ++++++++++ .../CFD/constant/foam.inp | 13 + .../CFD/constant/g | 22 ++ .../CFD/constant/liggghtsCommands | 43 +++ .../CFD/constant/polyMesh/.blockMeshDict.swp | Bin 0 -> 1024 bytes .../CFD/constant/polyMesh/blockMeshDict | 91 +++++ .../CFD/constant/thermophysicalProperties | 66 ++++ .../CFD/constant/transportProperties | 46 +++ .../CFD/constant/turbulenceProperties | 20 ++ .../CFD/system/controlDict | 116 ++++++ .../CFD/system/decomposeParDict | 46 +++ .../CFD/system/fvSchemes | 68 ++++ .../CFD/system/fvSolution | 109 ++++++ .../CFD/system/probesDict | 47 +++ .../DEM/in.liggghts_init | 58 +++ .../DEM/in.liggghts_run | 139 +++++++ .../Residuals | 12 + .../parCFDDEMrun.sh | 96 +++++ .../parDEMrun.sh | 30 ++ .../postproc.sh | 18 + .../postrun.sh | 2 + .../prerun.sh | 13 + .../residuals.sh | 9 + .../run.config | 19 + 47 files changed, 2665 insertions(+) create mode 100644 tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/Allclean create mode 100755 tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/Allrun.sh create mode 100644 tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/CFD/0/CO create mode 100644 tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/CFD/0/CO2 create mode 100644 tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/CFD/0/Ksl create mode 100644 tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/CFD/0/N2 create mode 100644 tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/CFD/0/O2 create mode 100644 tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/CFD/0/Qsource create mode 100644 tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/CFD/0/T create mode 100644 tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/CFD/0/U create mode 100644 tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/CFD/0/Us create mode 100644 tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/CFD/0/alphat create mode 100644 tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/CFD/0/epsilon create mode 100644 tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/CFD/0/k create mode 100644 tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/CFD/0/mut create mode 100644 tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/CFD/0/nut create mode 100644 tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/CFD/0/p create mode 100644 tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/CFD/0/p.org create mode 100644 tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/CFD/0/rho create mode 100644 tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/CFD/0/voidfraction create mode 100644 tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/CFD/constant/chemistryProperties create mode 100644 tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/CFD/constant/combustionProperties create mode 100644 tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/CFD/constant/couplingProperties create mode 100644 tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/CFD/constant/foam.dat create mode 100644 tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/CFD/constant/foam.inp create mode 100644 tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/CFD/constant/g create mode 100644 tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/CFD/constant/liggghtsCommands create mode 100644 tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/CFD/constant/polyMesh/.blockMeshDict.swp create mode 100644 tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/CFD/constant/polyMesh/blockMeshDict create mode 100644 tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/CFD/constant/thermophysicalProperties create mode 100644 tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/CFD/constant/transportProperties create mode 100644 tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/CFD/constant/turbulenceProperties create mode 100644 tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/CFD/system/controlDict create mode 100644 tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/CFD/system/decomposeParDict create mode 100644 tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/CFD/system/fvSchemes create mode 100644 tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/CFD/system/fvSolution create mode 100644 tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/CFD/system/probesDict create mode 100644 tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/DEM/in.liggghts_init create mode 100644 tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/DEM/in.liggghts_run create mode 100644 tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/Residuals create mode 100644 tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/parCFDDEMrun.sh create mode 100755 tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/parDEMrun.sh create mode 100644 tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/postproc.sh create mode 100755 tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/postrun.sh create mode 100755 tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/prerun.sh create mode 100644 tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/residuals.sh create mode 100644 tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/run.config diff --git a/tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/Allclean b/tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/Allclean new file mode 100644 index 00000000..34f8f66a --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/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 $CFDEM_SRC_DIR/lagrangian/cfdemParticle/etc/functions.sh + +#- define variables +casePath="$(dirname "$(readlink -f ${BASH_SOURCE[0]})")" +cd $casePath/CFD +cleanCase +rm $casePath/CFD/rmass*.dat +rm $casePath/CFD/*.dat +rm $casePath/*.dat +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/Unreacted_Shrinking_Core_Test_Case/Allrun.sh b/tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/Allrun.sh new file mode 100755 index 00000000..7c0a2959 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/Allrun.sh @@ -0,0 +1,43 @@ +#!/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 $CFDEM_SRC_DIR/lagrangian/cfdemParticle/etc/functions.sh + +#- define variables +casePath="$(dirname "$(readlink -f ${BASH_SOURCE[0]})")" +export casePath + +export casePath +# check if mesh was built +if [ -f "$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/Unreacted_Shrinking_Core_Test_Case/CFD/0/CO b/tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/CFD/0/CO new file mode 100644 index 00000000..e1702bad --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/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 1.0; + +boundaryField +{ + top + { + type zeroGradient; + } + + bottom + { + type zeroGradient; + } + + side-walls + { + type zeroGradient; + } + + inlet + { + type zeroGradient; + } + + outlet + { + type zeroGradient; + } +} + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/CFD/0/CO2 b/tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/CFD/0/CO2 new file mode 100644 index 00000000..4ad6de47 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/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/Unreacted_Shrinking_Core_Test_Case/CFD/0/Ksl b/tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/CFD/0/Ksl new file mode 100644 index 00000000..bc087769 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/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/Unreacted_Shrinking_Core_Test_Case/CFD/0/N2 b/tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/CFD/0/N2 new file mode 100644 index 00000000..2a99a227 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/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 0.0; + +boundaryField +{ + top + { + type zeroGradient; + } + + bottom + { + type zeroGradient; + } + + side-walls + { + type zeroGradient; + } + + inlet + { + type zeroGradient; + } + + outlet + { + type zeroGradient; + } +} + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/CFD/0/O2 b/tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/CFD/0/O2 new file mode 100644 index 00000000..efe8467c --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/CFD/0/O2 @@ -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 O2; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +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/Unreacted_Shrinking_Core_Test_Case/CFD/0/Qsource b/tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/CFD/0/Qsource new file mode 100644 index 00000000..64313b48 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/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/Unreacted_Shrinking_Core_Test_Case/CFD/0/T b/tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/CFD/0/T new file mode 100644 index 00000000..31500e17 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/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 1123.15; + +boundaryField +{ + top + { + type zeroGradient; + } + + bottom + { + type zeroGradient; + } + + side-walls + { + type zeroGradient; + } + + inlet + { + type zeroGradient; + } + + outlet + { + type zeroGradient; + } +} + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/CFD/0/U b/tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/CFD/0/U new file mode 100644 index 00000000..6acf5506 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/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 (1.33e-4 0 0); + +boundaryField +{ + top + { + type noSlip; +/* type fixedValue; + value uniform (0.0 0 0);*/ + } + bottom + { + type noSlip; +/* type fixedValue; + value uniform (0.0 0 0);*/ + } + side-walls + { + type noSlip; +/* type fixedValue; + value uniform (0.0 0 0); */ + } + inlet + { + type fixedValue; + value uniform (1.33e-4 0 0); + } + + outlet + { + type zeroGradient; + } +} + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/CFD/0/Us b/tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/CFD/0/Us new file mode 100644 index 00000000..a769f873 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/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/Unreacted_Shrinking_Core_Test_Case/CFD/0/alphat b/tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/CFD/0/alphat new file mode 100644 index 00000000..5176c807 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/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/Unreacted_Shrinking_Core_Test_Case/CFD/0/epsilon b/tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/CFD/0/epsilon new file mode 100644 index 00000000..9810c397 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/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/Unreacted_Shrinking_Core_Test_Case/CFD/0/k b/tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/CFD/0/k new file mode 100644 index 00000000..b076e39a --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/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/Unreacted_Shrinking_Core_Test_Case/CFD/0/mut b/tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/CFD/0/mut new file mode 100644 index 00000000..612df953 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/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/Unreacted_Shrinking_Core_Test_Case/CFD/0/nut b/tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/CFD/0/nut new file mode 100644 index 00000000..0027f055 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/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/Unreacted_Shrinking_Core_Test_Case/CFD/0/p b/tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/CFD/0/p new file mode 100644 index 00000000..e2d368fc --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/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/Unreacted_Shrinking_Core_Test_Case/CFD/0/p.org b/tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/CFD/0/p.org new file mode 100644 index 00000000..3c63a681 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/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/Unreacted_Shrinking_Core_Test_Case/CFD/0/rho b/tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/CFD/0/rho new file mode 100644 index 00000000..d3f282ad --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/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 1.25; + +boundaryField +{ + top + { + type zeroGradient; + } + + bottom + { + type zeroGradient; + } + + side-walls + { + type zeroGradient; + } + + inlet + { + type zeroGradient; + } + + outlet + { + type zeroGradient; + } +} + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/CFD/0/voidfraction b/tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/CFD/0/voidfraction new file mode 100644 index 00000000..fe6297c2 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/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/Unreacted_Shrinking_Core_Test_Case/CFD/constant/chemistryProperties b/tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/CFD/constant/chemistryProperties new file mode 100644 index 00000000..57324344 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/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/Unreacted_Shrinking_Core_Test_Case/CFD/constant/combustionProperties b/tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/CFD/constant/combustionProperties new file mode 100644 index 00000000..fdbb75e6 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/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/Unreacted_Shrinking_Core_Test_Case/CFD/constant/couplingProperties b/tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/CFD/constant/couplingProperties new file mode 100644 index 00000000..ba3c96b6 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/CFD/constant/couplingProperties @@ -0,0 +1,338 @@ +/*---------------------------------------------------------------------------*\ +| ========= | | +| \\ / 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; +} + +diffusionCoefficientsProps +{ + verbose true; + ChemistryFile "$casePath/CFD/constant/foam.inp"; + diffusantGasNames ( CO + // H2 + ); +} + +massTransferCoeffProps +{ + verbose true; +} + +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/Unreacted_Shrinking_Core_Test_Case/CFD/constant/foam.dat b/tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/CFD/constant/foam.dat new file mode 100644 index 00000000..91a9ac14 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/CFD/constant/foam.dat @@ -0,0 +1,185 @@ +/*--------------------------------*- 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; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +CO2 +{ + specie + { + nMoles 1; + molWeight 44.01; + } + thermodynamics + { + Tlow 200; + Thigh 5000; + Tcommon 1000; + highCpCoeffs ( 3.85746 0.00441437 -2.21481e-06 5.2349e-10 -4.72084e-14 -48759.2 2.27164 ); + lowCpCoeffs ( 2.35677 0.0089846 -7.12356e-06 2.45919e-09 -1.437e-13 -48372 9.90105 ); + } + transport + { + As 1.67212e-06; + Ts 170.6; + } +} + +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 5000; + Tcommon 1000; + highCpCoeffs ( 2.92664 0.00148798 -5.68476e-07 1.0097e-10 -6.75335e-15 -922.798 5.98053 ); + lowCpCoeffs ( 3.29868 0.00140824 -3.96322e-06 5.64152e-09 -2.44485e-12 -1020.9 3.95037 ); + } + 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 5000; + Tcommon 1000; + highCpCoeffs ( 2.71518 0.00206252 -9.98825E-07 2.30053E-10 -2.03647E-14 -14151.8724 7.81868 ); + lowCpCoeffs ( 3.57953 -6.10353E-04 1.01681E-06 9.07005E-10 -9.04424E-13 -14344.0860 3.50840 ); + } + transport + { + As 1.67212e-06; + Ts 170.672; + } +} + +// if instead of janaf, hConst is used +/*CO2 +{ + specie + { + nMoles 1; + molWeight 44.01; + } + thermodynamics + { + Cp 1290; + Hf 0; + + } + transport + { + mu 1.37e-05; + Pr 0.72; + } +} +O2 +{ + specie + { + nMoles 1; + molWeight 31.9988; + } + thermodynamics + { + Cp 1120; + Hf 0; + } + transport + { + mu 1.95e-05; + Pr 0.7; + } +} +N2 +{ + specie + { + nMoles 1; + molWeight 28.0134; + } + thermodynamics + { + Cp 1212; + Hf 0; + } + transport + { + mu 1.66e-05; + Pr 0.7; + } +} +CO +{ + specie + { + nMoles 1; + molWeight 28.01; + } + thermodynamics + { + Cp 1227; + Hf 0; + } + transport + { + mu 1.66e-05; + Pr 0.7; + } +}*/ + + + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/CFD/constant/foam.inp b/tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/CFD/constant/foam.inp new file mode 100644 index 00000000..19fd928b --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/CFD/constant/foam.inp @@ -0,0 +1,13 @@ +species +( + CO + CO2 + O2 + N2 +); + +reactions +{ +} + + diff --git a/tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/CFD/constant/g b/tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/CFD/constant/g new file mode 100644 index 00000000..692238d9 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/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/Unreacted_Shrinking_Core_Test_Case/CFD/constant/liggghtsCommands b/tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/CFD/constant/liggghtsCommands new file mode 100644 index 00000000..d9e1ce81 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/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/Unreacted_Shrinking_Core_Test_Case/CFD/constant/polyMesh/.blockMeshDict.swp b/tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/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/Unreacted_Shrinking_Core_Test_Case/CFD/constant/polyMesh/blockMeshDict b/tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/CFD/constant/polyMesh/blockMeshDict new file mode 100644 index 00000000..024f6e99 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/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/Unreacted_Shrinking_Core_Test_Case/CFD/constant/thermophysicalProperties b/tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/CFD/constant/thermophysicalProperties new file mode 100644 index 00000000..be59c225 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/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/Unreacted_Shrinking_Core_Test_Case/CFD/constant/transportProperties b/tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/CFD/constant/transportProperties new file mode 100644 index 00000000..3851e205 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/CFD/constant/transportProperties @@ -0,0 +1,46 @@ +/*--------------------------------*- 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 ] 1.328e-05; // dnyamic viscosity of CO : 1.66*10^-5 [kg/ms] -- density: 1.25 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; // 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/Unreacted_Shrinking_Core_Test_Case/CFD/constant/turbulenceProperties b/tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/CFD/constant/turbulenceProperties new file mode 100644 index 00000000..d1156961 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/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/Unreacted_Shrinking_Core_Test_Case/CFD/system/controlDict b/tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/CFD/system/controlDict new file mode 100644 index 00000000..00edb949 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/CFD/system/controlDict @@ -0,0 +1,116 @@ +/*--------------------------------*- 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 1200.0; + +deltaT 0.01; + +writeControl timeStep; + +writeInterval 10000; + +purgeWrite 0; + +writeFormat ascii; + +writePrecision 10; + +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"; + } + + globalMassFrac + { + type volRegion; + libs ("libfieldFunctionObjects.so"); + writeControl timeStep;//outputTime; + writeInterval 1; + log true; + writeFields false; + regionType all; + name c0; + operation weightedVolAverage; + weightField rhoeps; + fields + ( + O2 + 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/Unreacted_Shrinking_Core_Test_Case/CFD/system/decomposeParDict b/tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/CFD/system/decomposeParDict new file mode 100644 index 00000000..58b7b05f --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/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 4; + +//method scotch; +method simple; + +simpleCoeffs +{ + n (2 2 1); + delta 0.001; +} + +hierarchicalCoeffs +{ + n ( 1 1 1 ); + delta 0.001; + order xyz; +} + +manualCoeffs +{ + dataFile ""; +} + +distributed no; + +roots ( ); + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/CFD/system/fvSchemes b/tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/CFD/system/fvSchemes new file mode 100644 index 00000000..4404d9c3 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/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/Unreacted_Shrinking_Core_Test_Case/CFD/system/fvSolution b/tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/CFD/system/fvSolution new file mode 100644 index 00000000..f9952be1 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/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|CO2|O2)" + { + $h; + } + + "(Yi|CO2|O2)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/Unreacted_Shrinking_Core_Test_Case/CFD/system/probesDict b/tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/CFD/system/probesDict new file mode 100644 index 00000000..5ad38258 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/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 + molC + O2 + CO2 + CO + ModSpeciesMassField_O2 + ModSpeciesMassField_CO2 + ModSpeciesMassField_CO + X_CO + X_CO2 +); + +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/Unreacted_Shrinking_Core_Test_Case/DEM/in.liggghts_init b/tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/DEM/in.liggghts_init new file mode 100644 index 00000000..6117c005 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/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 2 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-4 +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 0.0107 density 4700 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/Unreacted_Shrinking_Core_Test_Case/DEM/in.liggghts_run b/tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/DEM/in.liggghts_run new file mode 100644 index 00000000..6542e4a6 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/DEM/in.liggghts_run @@ -0,0 +1,139 @@ +# 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 2 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-4 +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 4 species_names CO CO2 O2 N2 + +# this should shrink the particle +# fix cfd4 all chem/shrink speciesA O2 molMassA 31.99 speciesC CO2 molMassC 44.01 molMassB 12.01 k 2.5e3 rdef 0.2 +# fix cfd4 all chem/shrink speciesA CO molMassA 28.01 speciesC CO2 molMassC 44.01 molMassB 12.01 k 2.5e3 rmin 0.005 + +# 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 + +# Chemical properties for unreacted shrink core (activate only when chem/shrink/core is active) +fix k0 all property/global k0_cfd5 vector 17 25 2700 +fix Ea all property/global Ea_cfd5 vector 69488 73674 113859 + +# particle porosities adn tortuosities +fix porosity all property/global porosity_ scalar 0.22 +fix tortuosity all property/global tortuosity_ scalar 1 +fix pore_diameter all property/global pore_diameter_ scalar 4e-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 0.99 0.98 0.97 + +# fix to compute fracRed +fix fracRed all property/atom fracRed vector yes no no 0. 0. 0. + +# apply nve integration to all particles that are inserted as single particles +# fix integr all nve/sphere + +############################################### + +compute masschange all property/atom mass +compute massreduce all reduce sum c_masschange +fix rmass all ave/time 1 1 25 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 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 layerRad4 all reduce sum f_layerRelRad[4] +fix redRad4 all ave/time 100 1 100 c_layerRad4 file relRad4.dat + +####compute radii of layers##### + +variable rad_fe atom "f_layerRelRad[1]*radius" +compute r_fe all reduce sum v_rad_fe +fix r_fe1 all ave/time 25 1 25 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 25 1 25 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 25 1 25 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 25 1 25 c_r_h file rh.dat + +### compute fractional reduction ### + +compute fracRed1 all reduce sum f_fracRed[1] +fix df1 all ave/time 100 1 100 c_fracRed1 file df1.dat + +compute fracRed2 all reduce sum f_fracRed[2] +fix df2 all ave/time 100 1 100 c_fracRed2 file df2.dat + +compute fracRed3 all reduce sum f_fracRed[3] +fix df3 all ave/time 100 1 100 c_fracRed3 file df3.dat + +############################################### +# 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/Unreacted_Shrinking_Core_Test_Case/Residuals b/tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/Residuals new file mode 100644 index 00000000..21caee3d --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/Residuals @@ -0,0 +1,12 @@ +set logscale y +set title "Residuals" +set ylabel 'Residual' +set xlabel 'Iteration' +set grid +plot "< cat log_test_case | grep 'Solving for Ux' | cut -d' ' -f9 | tr -d ','" title 'Ux' with lines lw 3,\ +"< cat log_test_case | grep 'Solving for Uy' | cut -d' ' -f9 | tr -d ','" title 'Uy' with lines lw 3,\ +"< cat log_test_case | grep 'Solving for Uz' | cut -d' ' -f9 | tr -d ','" title 'Uz' with lines lw 3,\ +"< cat log_test_case | grep -w 'Solving for CO2' | cut -d' ' -f9 | tr -d ','" title 'CO2' with lines lw 3,\ +"< cat log_test_case | grep -w 'Solving for CO' | cut -d' ' -f9 | tr -d ','" title 'CO' with lines lw 3 +pause 1 +reread \ No newline at end of file diff --git a/tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/parCFDDEMrun.sh b/tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/parCFDDEMrun.sh new file mode 100644 index 00000000..fd4341f1 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/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 $CFDEM_SRC_DIR/lagrangian/cfdemParticle/etc/functions.sh + +#--------------------------------------------------------------------------------# +#- define variables +casePath="$(dirname "$(readlink -f ${BASH_SOURCE[0]})")" +logpath=$casePath +headerText="test_case_Valipour_2009" +logfileName="log_$headerText" +solverName="cfdemSolverRhoPimpleChem" +nrProcs="4" +machineFileName="none" # yourMachinefileName | none +debugMode="off" # on | off| strict +testHarnessPath="$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/Unreacted_Shrinking_Core_Test_Case/parDEMrun.sh b/tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/parDEMrun.sh new file mode 100755 index 00000000..d1e3a033 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/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 $CFDEM_SRC_DIR/lagrangian/cfdemParticle/etc/functions.sh + +echo "starting DEM run in parallel..." +#--------------------------------------------------------------------------------# +#- define variables +casePath="$(dirname "$(readlink -f ${BASH_SOURCE[0]})")" +logpath="$casePath" +headerText="run_liggghts_init_DEM" +logfileName="log_$headerText" +solverName="in.liggghts_init" +nrProcs=4 +machineFileName="none" +debugMode="off" +#--------------------------------------------------------------------------------# + +#- call function to run DEM case +parDEMrun $logpath $logfileName $casePath $headerText $solverName $nrProcs $machineFileName $debugMode + diff --git a/tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/postproc.sh b/tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/postproc.sh new file mode 100644 index 00000000..5960c13b --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/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/Unreacted_Shrinking_Core_Test_Case/postrun.sh b/tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/postrun.sh new file mode 100755 index 00000000..2a474cc3 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/postrun.sh @@ -0,0 +1,2 @@ +#!/bin/bash +# nothing to see here \ No newline at end of file diff --git a/tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/prerun.sh b/tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/prerun.sh new file mode 100755 index 00000000..7b370ae7 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/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 $casePath/CFD + blockMesh +fi \ No newline at end of file diff --git a/tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/residuals.sh b/tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/residuals.sh new file mode 100644 index 00000000..db275e93 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/residuals.sh @@ -0,0 +1,9 @@ +#!/bin/bash + +#- define variables +casePath="$(dirname "$(readlink -f ${BASH_SOURCE[0]})")" +export casePath + +echo "generating Residuals" +$casePath +gnuplot Residuals - \ No newline at end of file diff --git a/tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/run.config b/tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/run.config new file mode 100644 index 00000000..032fedbb --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/Unreacted_Shrinking_Core_Test_Case/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"] + } + ] +}