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Move the ISO4695 Case into the SingleParticleCases folder

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This commit is contained in:
ekinaci
2019-09-18 16:43:56 +02:00
parent 939429d341
commit 14b64ef281
49 changed files with 2867 additions and 0 deletions
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35
tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/Allclean Normal file
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#!/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

50
tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/Allrun.sh Executable file
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#!/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

52
tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/0/CO Normal file
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/*--------------------------------*- 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;
}
}
// ************************************************************************* //

51
tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/0/CO2 Normal file
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/*--------------------------------*- 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;
}
}
// ************************************************************************* //

51
tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/0/Ksl Normal file
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/*--------------------------------*- 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;
}
}
// ************************************************************************* //

52
tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/0/N2 Normal file
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/*--------------------------------*- 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;
}
}
// ************************************************************************* //

51
tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/0/Qsource Normal file
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/*--------------------------------*- 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;
}
}
// ************************************************************************* //

52
tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/0/T Normal file
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/*--------------------------------*- 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;
}
}
// ************************************************************************* //

49
tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/0/U Normal file
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/*--------------------------------*- 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;
}
}
// ************************************************************************* //

48
tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/0/Us Normal file
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/*--------------------------------*- 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;
}
}
// ************************************************************************* //

47
tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/0/alphat Normal file
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/*--------------------------------*- 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;
}
}
// ************************************************************************* //

53
tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/0/epsilon Normal file
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/*--------------------------------*- 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;
}
}
// ************************************************************************* //

47
tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/0/k Normal file
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/*--------------------------------*- 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;
}
}
// ************************************************************************* //

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tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/0/mut Normal file
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/*--------------------------------*- 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;
}
}
// ************************************************************************* //

51
tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/0/nut Normal file
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/*--------------------------------*- 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;
}
}
// ************************************************************************* //

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tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/0/p Normal file
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/*--------------------------------*- 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;
}
}
// ************************************************************************* //

52
tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/0/p.org Normal file
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/*--------------------------------*- 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;
}
}
// ************************************************************************* //

50
tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/0/rho Normal file
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/*--------------------------------*- 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;
}
}
// ************************************************************************* //

51
tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/0/voidfraction Normal file
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/*--------------------------------*- 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;
}
}
// ************************************************************************* //

42
tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/constant/chemistryProperties Normal file
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/*--------------------------------*- 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;
} */
// ************************************************************************* //

34
tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/constant/combustionProperties Normal file
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/*--------------------------------*- 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<rhoThermoCombustion>; //PaSR<rhoChemistryCombustion>; //PaSR<psiChemistryCombustion>;
active false; //true;
noCombustionCoeffs
{
}
PaSRCoeffs
{
Cmix 1.0;
turbulentReaction off;
}
// ************************************************************************* //

357
tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/constant/couplingProperties Normal file
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/*---------------------------------------------------------------------------*\
| ========= | |
| \\ / 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";
}
// ************************************************************************* //

111
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/*--------------------------------*- 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;
}
}
// ************************************************************************* //

12
tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/constant/foam.inp Normal file
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species
(
CO
CO2
N2
);
reactions
{
}

22
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/*--------------------------------*- 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 );
// ************************************************************************* //

43
tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/constant/liggghtsCommands Normal file
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/*---------------------------------------------------------------------------*\
| ========= | |
| \\ / 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;
}

BIN
tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/constant/polyMesh/.blockMeshDict.swp Normal file
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Binary file not shown.

91
tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/constant/polyMesh/blockMeshDict Normal file
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/*--------------------------------*- 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
(
);
// ************************************************************************* //

153
tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/constant/polyMesh/cylinderMesh.m4 Normal file
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// 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)
)
);

37
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/*--------------------------------*- 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;
// ************************************************************************* //

47
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/*--------------------------------*- 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;
}
*/
// ************************************************************************* //

20
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/*--------------------------------*- 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;
// ************************************************************************* //

145
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/*--------------------------------*- 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
);
}
}
// ************************************************************************* //

46
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/*--------------------------------*- 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 ( );
// ************************************************************************* //

30
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@ -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;
}
}

83
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/*--------------------------------*- 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 ;
}
// ************************************************************************* //

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/*--------------------------------*- 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;
}
}
// ************************************************************************* //

47
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/*--------------------------------*- 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)
);
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //

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tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/DEM/.in.liggghts_run.swo Normal file
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# 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

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# 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

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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);

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#!/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

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#!/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"

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#!/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

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#!/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

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#!/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

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{
"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"]
}
]
}

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#!/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