mirror of
https://github.com/ParticulateFlow/CFDEMcoupling-PFM.git
synced 2025-12-08 06:37:44 +00:00
clean up whitespaces
This commit is contained in:
Daniel Queteschiner
@ -38,13 +38,13 @@ boundaryField
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|
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inlet
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{
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type fixedValue;
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value uniform 0.3101580355;
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type fixedValue;
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value uniform 0.3101580355;
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||||
}
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outlet
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{
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type zeroGradient;
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type zeroGradient;
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}
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}
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@ -38,13 +38,13 @@ boundaryField
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inlet
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||||
{
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type fixedValue;
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value uniform 0.0649770565;
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type fixedValue;
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value uniform 0.0649770565;
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}
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outlet
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{
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type zeroGradient;
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type zeroGradient;
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}
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}
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@ -38,13 +38,13 @@ boundaryField
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inlet
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||||
{
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type fixedValue;
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value uniform 0.0044735397;
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||||
type fixedValue;
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value uniform 0.0044735397;
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||||
}
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outlet
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{
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type zeroGradient;
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type zeroGradient;
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}
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}
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@ -38,12 +38,12 @@ boundaryField
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inlet
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{
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type zeroGradient;
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type zeroGradient;
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}
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outlet
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||||
{
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type zeroGradient;
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type zeroGradient;
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||||
}
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}
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@ -39,7 +39,7 @@ boundaryField
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inlet
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{
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type fixedValue;
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value uniform 0.6203913683;
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value uniform 0.6203913683;
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}
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outlet
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@ -39,7 +39,7 @@ boundaryField
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inlet
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{
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type fixedValue;
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value uniform 1223.15;
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value uniform 1223.15;
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}
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outlet
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@ -23,15 +23,15 @@ boundaryField
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{
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top
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{
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type zeroGradient;
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type zeroGradient;
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}
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bottom
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{
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type zeroGradient;
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type zeroGradient;
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}
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side-walls
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{
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type zeroGradient;
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type zeroGradient;
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}
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inlet
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||||
{
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||||
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@ -17,7 +17,7 @@ FoamFile
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dimensions [1 -1 -2 0 0 0 0];
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internalField uniform 101325;
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internalField uniform 101325;
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boundaryField
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{
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@ -17,7 +17,7 @@ FoamFile
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|
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dimensions [1 -1 -2 0 0 0 0];
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|
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internalField uniform 101325;
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internalField uniform 101325;
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|
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boundaryField
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||||
{
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@ -16,7 +16,7 @@ FoamFile
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|
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dimensions [1 -3 0 0 0 0 0];
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internalField uniform 1.2415; // [for 33CO 3H2 4CO2 60N2];
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internalField uniform 1.2415; // [for 33CO 3H2 4CO2 60N2];
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|
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boundaryField
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{
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@ -39,7 +39,7 @@ boundaryField
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inlet
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{
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type fixedValue;
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value $internalField;
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value $internalField;
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}
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outlet
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@ -15,12 +15,12 @@ FoamFile
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}
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||||
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
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|
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combustionModel noCombustion<rhoThermoCombustion>; //PaSR<rhoChemistryCombustion>; //PaSR<psiChemistryCombustion>;
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combustionModel noCombustion<rhoThermoCombustion>;
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|
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active false; //true;
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noCombustionCoeffs
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{
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||||
{
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||||
}
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|
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@ -32,7 +32,7 @@ couplingInterval 50;
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voidFractionModel divided;//centre;//
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locateModel engine; //turboEngineM2M;//
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locateModel engine;//turboEngineM2M;//
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|
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meshMotionModel noMeshMotion;
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@ -46,9 +46,9 @@ dataExchangeModel twoWayMPI;//twoWayM2M;//twoWayFiles;//oneWayVTK;//
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averagingModel dilute; //dense;////
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clockModel off;//standardClock;//off;
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clockModel off;//standardClock;
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smoothingModel off;// localPSizeDiffSmoothing;// constDiffSmoothing; //
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smoothingModel off;//localPSizeDiffSmoothing;// constDiffSmoothing; //
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|
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forceModels
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(
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@ -59,13 +59,13 @@ forceModels
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energyModels
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(
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heatTransferGunn
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reactionHeat
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heatTransferGunn
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reactionHeat
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);
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thermCondModel SyamlalThermCond;
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thermCondModel SyamlalThermCond;
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|
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chemistryModels
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chemistryModels
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(
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species
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diffusionCoefficients
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@ -85,7 +85,7 @@ turbulenceModelType "turbulenceProperties";//"LESProperties";//
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reactionHeatProps
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{
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reactionHeatName "reactionHeat";
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verbose false;
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verbose false;
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}
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||||
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heatTransferGunnProps
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||||
@ -119,8 +119,8 @@ diffusionCoefficientsProps
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|
||||
massTransferCoeffProps
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||||
{
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verbose false;
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interpolation false;
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||||
verbose false;
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||||
interpolation false;
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||||
}
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reactantPerParticleProps
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@ -130,8 +130,8 @@ reactantPerParticleProps
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|
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SyamlalThermCondProps
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{
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voidfractionFieldName "voidfraction";
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rhoFieldName "rho";
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voidfractionFieldName "voidfraction";
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rhoFieldName "rho";
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}
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LaEuScalarTempProps
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@ -150,7 +150,7 @@ localPSizeDiffSmoothingProps
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lowerLimit 0.1;
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upperLimit 1e10;
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dSmoothingLength 1.5e-3;
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Csmoothing 1.0;
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Csmoothing 1.0;
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||||
}
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constDiffSmoothingProps
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@ -214,11 +214,8 @@ GidaspowDragProps
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velFieldName "U";
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granVelFieldName "Us";
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voidfractionFieldName "voidfraction";
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interpolation true; //interpolation is on
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interpolation true;
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phi 1;
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//implForceDEM true;
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//implForceDEMaccumulated true;
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//explicitCorr true;
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}
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BeetstraDragProps
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@ -228,8 +225,8 @@ BeetstraDragProps
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gravityFieldName "g";
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voidfractionFieldName "voidfraction";
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interpolation false;
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||||
useFilteredDragModel ;
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useParcelSizeDependentFilteredDrag ;
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useFilteredDragModel;
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useParcelSizeDependentFilteredDrag;
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rhoP 4630.;
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dPrim 0.00022;
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rho 1.58;
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@ -17,12 +17,12 @@ FoamFile
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thermoType
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{
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type heRhoThermo; //hePsiThermo; //
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type heRhoThermo;
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mixture reactingMixture; //species and reactions are listed in chemistry file
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transport const; //sutherland; //calcualtes viscosity as a function of temperature from Stuherland coefficient As and Ts
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thermo hConst; //janaf;
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equationOfState perfectGas;
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energy sensibleInternalEnergy; //sensibleEnthalpy; //uses enthaly in the solution
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transport const; //sutherland; //calcualtes viscosity as a function of temperature from Stuherland coefficient As and Ts
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thermo hConst; //janaf;
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equationOfState perfectGas;
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energy sensibleInternalEnergy;
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specie specie;
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}
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@ -32,6 +32,6 @@ foamChemistryThermoFile "$casePath/CFD/constant/foam.dat";
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foamChemistryFile "$casePath/CFD/constant/foam.inp";
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|
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inertSpecie N2;
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inertSpecie N2;
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|
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// ************************************************************************* //
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@ -17,15 +17,15 @@ FoamFile
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transportModel Newtonian;
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nu nu [ 0 2 -1 0 0 0 0 ] 1.4117e-05; // kinematic viscosity of gas mixture
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nu nu [ 0 2 -1 0 0 0 0 ] 1.4117e-05; // kinematic viscosity of gas mixture
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|
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kf kf [ 1 1 -3 -1 0 0 0 ] 0.0507; // comes from energy model
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kf kf [ 1 1 -3 -1 0 0 0 ] 0.0507; // comes from energy model
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|
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Cp Cp [ 0 2 -2 -1 0 0 0 ] 1118.15; // comes from energy model
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Cp Cp [ 0 2 -2 -1 0 0 0 ] 1118.15; // comes from energy model
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|
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|
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// ******* Non-Newtonian transport properties ************************ //
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/*CrossPowerLawCoeffs
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/*CrossPowerLawCoeffs
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{
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nu0 nu0 [ 0 2 -1 0 0 0 0 ] 1e-06;
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nuInf nuInf [ 0 2 -1 0 0 0 0 ] 1e-06;
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|
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@ -53,62 +53,65 @@ maxDeltaT 0.1;
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|
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// ************************************************************************* //
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libs (
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"libfieldFunctionObjects.so"
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);
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libs
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(
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"libfieldFunctionObjects.so"
|
||||
);
|
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|
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functions
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{
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moleFrac
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{
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type rhoReactionThermoMoleFractions;
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}
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|
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type rhoReactionThermoMoleFractions;
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}
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|
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probes1
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{
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type probes;
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type probes;
|
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|
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functionObjectLibs ("libsampling.so");
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#include "probesDict";
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|
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#include "probesDict";
|
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}
|
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|
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|
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fieldMinMax_T
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{
|
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type fieldMinMax;
|
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libs ("libfieldFunctionObjects.so");
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fields (T);
|
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// Report the location of the field extrema
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location yes;
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// Type of extrema for rank > 0 primitives
|
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mode magnitude; // magnitude | component
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}
|
||||
|
||||
fieldMinMax_Cpv
|
||||
{
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||||
type fieldMinMax;
|
||||
libs ("libfieldFunctionObjects.so");
|
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fields (Cpv);
|
||||
// Report the location of the field extrema
|
||||
location yes;
|
||||
// Type of extrema for rank > 0 primitives
|
||||
mode magnitude; // magnitude | component
|
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}
|
||||
|
||||
fieldMinMax_partTemp
|
||||
{
|
||||
type fieldMinMax;
|
||||
libs ("libfieldFunctionObjects.so");
|
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fields (partTemp);
|
||||
location yes;
|
||||
mode magnitude;
|
||||
type fieldMinMax;
|
||||
libs ("libfieldFunctionObjects.so");
|
||||
fields (T);
|
||||
// Report the location of the field extrema
|
||||
location yes;
|
||||
// Type of extrema for rank > 0 primitives
|
||||
mode magnitude; // magnitude | component
|
||||
}
|
||||
|
||||
fieldMinMax_Cpv
|
||||
{
|
||||
type fieldMinMax;
|
||||
libs ("libfieldFunctionObjects.so");
|
||||
fields (Cpv);
|
||||
// Report the location of the field extrema
|
||||
location yes;
|
||||
// Type of extrema for rank > 0 primitives
|
||||
mode magnitude; // magnitude | component
|
||||
}
|
||||
|
||||
fieldMinMax_partTemp
|
||||
{
|
||||
type fieldMinMax;
|
||||
libs ("libfieldFunctionObjects.so");
|
||||
fields (partTemp);
|
||||
location yes;
|
||||
mode magnitude;
|
||||
}
|
||||
|
||||
globalMassFrac
|
||||
{
|
||||
{
|
||||
type volRegion;
|
||||
libs ("libfieldFunctionObjects.so");
|
||||
writeControl timeStep;//outputTime;
|
||||
writeInterval 1;
|
||||
writeControl timeStep;//outputTime;
|
||||
writeInterval 1;
|
||||
log true;
|
||||
writeFields false;
|
||||
regionType all;
|
||||
@ -122,14 +125,14 @@ functions
|
||||
CO
|
||||
N2
|
||||
H2O
|
||||
);
|
||||
}
|
||||
);
|
||||
}
|
||||
|
||||
globalMass
|
||||
{
|
||||
{
|
||||
type volRegion;
|
||||
libs ("libfieldFunctionObjects.so");
|
||||
writeControl timeStep;//outputTime;
|
||||
writeControl timeStep;//outputTime;
|
||||
writeInterval 1;
|
||||
log true;
|
||||
writeFields false;
|
||||
@ -142,6 +145,6 @@ functions
|
||||
rho
|
||||
);
|
||||
}
|
||||
}
|
||||
}
|
||||
|
||||
// ************************************************************************* //
|
||||
|
||||
@ -25,6 +25,5 @@ limitedTemperature
|
||||
Tmin 1200;
|
||||
Tmax 2500;
|
||||
}
|
||||
}
|
||||
|
||||
}
|
||||
|
||||
|
||||
@ -25,36 +25,36 @@ gradSchemes
|
||||
default Gauss linear;
|
||||
grad(p) cellMDLimited leastSquares 0.5;
|
||||
grad(U) cellMDLimited leastSquares 0.5; //cellLimited Gauss linear 1; //
|
||||
grad(h) cellMDLimited leastSquares 0.5;
|
||||
grad(e) cellMDLimited leastSquares 0.5;
|
||||
grad(h) cellMDLimited leastSquares 0.5;
|
||||
grad(e) cellMDLimited leastSquares 0.5;
|
||||
}
|
||||
|
||||
divSchemes
|
||||
{
|
||||
default Gauss linear;
|
||||
|
||||
div(phi,U) Gauss limitedLinear 1; //Gauss linear; //Gauss limitedLinear 1; // //Gauss limitedLinearV 1; //
|
||||
div(phid,p) Gauss limitedLinear 1; //Gauss upwind; //Gauss limitedLinearV 1;
|
||||
div(phi,K) Gauss limitedLinear 1;
|
||||
div(phi,h) Gauss limitedLinear 1; //Gauss upwind;
|
||||
div(phi,k) Gauss limitedLinear 1; //Gauss upwind;
|
||||
div(phi,epsilon) Gauss limitedLinear 1; //Gauss upwind;
|
||||
div(phi,U) Gauss limitedLinear 1; //Gauss linear;
|
||||
div(phid,p) Gauss limitedLinear 1; //Gauss upwind;
|
||||
div(phi,K) Gauss limitedLinear 1;
|
||||
div(phi,h) Gauss limitedLinear 1; //Gauss upwind;
|
||||
div(phi,k) Gauss limitedLinear 1; //Gauss upwind;
|
||||
div(phi,epsilon) Gauss limitedLinear 1; //Gauss upwind;
|
||||
div(U) Gauss limitedLinear 1;
|
||||
div(phi,Yi_h) Gauss multivariateSelection
|
||||
{
|
||||
CO limitedLinear01 1;
|
||||
H2 limitedLinear01 1;
|
||||
N2 limitedLinear01 1;
|
||||
H2O limitedLinear01 1;
|
||||
div(phi,Yi_h) Gauss multivariateSelection
|
||||
{
|
||||
CO limitedLinear01 1;
|
||||
H2 limitedLinear01 1;
|
||||
N2 limitedLinear01 1;
|
||||
H2O limitedLinear01 1;
|
||||
CO2 limitedLinear01 1;
|
||||
h limitedLinear 1;
|
||||
h limitedLinear 1;
|
||||
e limitedLinear 1;
|
||||
}
|
||||
}
|
||||
// div((muEff*dev2(T(grad(U))))) Gauss linear;
|
||||
div((viscousTerm*dev2(grad(U).T()))) Gauss linear;
|
||||
div((thermo:mu*dev(grad(U).T()))) Gauss linear;
|
||||
div((nuEff*dev2(T(grad(U))))) Gauss linear;
|
||||
div(phi,T) Gauss limitedLinear 1;
|
||||
div(phi,T) Gauss limitedLinear 1;
|
||||
}
|
||||
|
||||
laplacianSchemes
|
||||
|
||||
@ -22,7 +22,7 @@ solvers
|
||||
preconditioner DIC;
|
||||
tolerance 1e-6;
|
||||
relTol 0.01;
|
||||
/*solver GAMG;
|
||||
/*solver GAMG;
|
||||
tolerance 1e-06;
|
||||
relTol 0.01;
|
||||
smoother GaussSeidel;
|
||||
@ -41,27 +41,27 @@ solvers
|
||||
tolerance 1e-06;
|
||||
relTol 0;
|
||||
}
|
||||
|
||||
|
||||
"(rho|G)"
|
||||
{
|
||||
solver PCG;
|
||||
preconditioner DIC;
|
||||
tolerance 1e-6;
|
||||
relTol 0.01;
|
||||
/*solver smoothSolver;
|
||||
smoother symGaussSeidel;
|
||||
tolerance 1e-6;
|
||||
relTol 0.1;
|
||||
nSweeps 3;*/
|
||||
/*solver smoothSolver;
|
||||
smoother symGaussSeidel;
|
||||
tolerance 1e-6;
|
||||
relTol 0.1;
|
||||
nSweeps 3;*/
|
||||
}
|
||||
|
||||
|
||||
"(rho|G)Final"
|
||||
{
|
||||
$rho;
|
||||
$rho;
|
||||
tolerance 1e-06;
|
||||
relTol 0;
|
||||
}
|
||||
|
||||
|
||||
"(U|h|e|R|k|epsilon)"
|
||||
{
|
||||
solver smoothSolver;
|
||||
@ -76,14 +76,14 @@ solvers
|
||||
tolerance 1e-05;
|
||||
relTol 0;
|
||||
}
|
||||
|
||||
|
||||
"(Yi|CO|CO2|H2|H2O|N2)"
|
||||
{
|
||||
solver smoothSolver;
|
||||
smoother symGaussSeidel;
|
||||
tolerance 1e-06;
|
||||
relTol 0.01;
|
||||
maxIter 100;
|
||||
maxIter 100;
|
||||
}
|
||||
|
||||
"(Yi|CO|CO2|H2|H2O|N2)Final"
|
||||
@ -91,9 +91,9 @@ solvers
|
||||
$Yi;
|
||||
tolerance 1e-06;
|
||||
relTol 0;
|
||||
maxIter 100;
|
||||
maxIter 100;
|
||||
}
|
||||
|
||||
|
||||
T
|
||||
{
|
||||
solver PBiCG;
|
||||
@ -109,22 +109,22 @@ PIMPLE
|
||||
nOuterCorrectors 5;
|
||||
nCorrectors 2;
|
||||
nNonOrthogonalCorrectors 0;
|
||||
rhoMin rhoMin [ 1 -3 0 0 0 ] 0.4;
|
||||
rhoMax rhoMax [ 1 -3 0 0 0 ] 2.0;
|
||||
rhoMin rhoMin [ 1 -3 0 0 0 ] 0.4;
|
||||
rhoMax rhoMax [ 1 -3 0 0 0 ] 2.0;
|
||||
}
|
||||
|
||||
relaxationFactors
|
||||
{
|
||||
fields
|
||||
{
|
||||
T 0.5;
|
||||
"(Yi|CO|CO2|H2|H2O|N2)" 0.6;
|
||||
p 0.6;
|
||||
T 0.5;
|
||||
"(Yi|CO|CO2|H2|H2O|N2)" 0.6;
|
||||
p 0.6;
|
||||
}
|
||||
equations
|
||||
{
|
||||
".*" 0.8;
|
||||
"(h|e).*" 0.5;
|
||||
"(h|e).*" 0.5;
|
||||
}
|
||||
}
|
||||
|
||||
|
||||
@ -46,9 +46,9 @@ writeInterval 50;
|
||||
// Locations to be probed.
|
||||
probeLocations
|
||||
(
|
||||
(7.0 2.5 2.5)
|
||||
(8.0 2.5 2.5)
|
||||
(1.0 2.5 2.5)
|
||||
(7.0 2.5 2.5)
|
||||
(8.0 2.5 2.5)
|
||||
(1.0 2.5 2.5)
|
||||
);
|
||||
|
||||
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
|
||||
|
||||
@ -1,4 +1,4 @@
|
||||
# Pour granular particles into chute container, then induce flow
|
||||
# single particle chemistry test case
|
||||
log ../DEM/log.liggghts
|
||||
thermo_log ../DEM/post/thermo.txt
|
||||
|
||||
@ -42,8 +42,8 @@ fix zwalls1 all wall/gran model hertz tangential history primitive type 1 zp
|
||||
fix zwalls2 all wall/gran model hertz tangential history primitive type 1 zplane 0.5
|
||||
|
||||
# Thermal properties
|
||||
fix ftco all property/global thermalConductivity peratomtype 1.4
|
||||
fix ftca all property/global thermalCapacity peratomtype 3000
|
||||
fix ftco all property/global thermalConductivity peratomtype 1.4
|
||||
fix ftca all property/global thermalCapacity peratomtype 3000
|
||||
|
||||
###############################################
|
||||
|
||||
@ -52,7 +52,7 @@ fix cfd all couple/cfd couple_every 50 mpi
|
||||
fix cfd2 all couple/cfd/force
|
||||
|
||||
# this one invokes heat transfer calculation, transfers per-particle temperature and adds convective heat flux to particles
|
||||
fix tconv all couple/cfd/convection T0 1221
|
||||
fix tconv all couple/cfd/convection T0 1221
|
||||
|
||||
# this should invoke chemistry
|
||||
fix cfd3 all couple/cfd/chemistry n_species 5 species_names H2 H2O CO CO2 N2 n_diff 2 diffusant_names CO H2
|
||||
@ -65,31 +65,31 @@ fix cfd6 all chem/shrink/core speciesA H2 molMassA 0.00202 speciesC H2O molM
|
||||
fix k0_CO all property/atom k0_cfd5 vector yes no no 17 25 2700
|
||||
fix Ea_CO all property/atom Ea_cfd5 vector yes no no 69488 73674 113859
|
||||
|
||||
fix k0_H2 all property/atom k0_cfd6 vector yes no no 30 23 160
|
||||
fix Ea_H2 all property/atom Ea_cfd6 vector yes no no 63627 71162 92092
|
||||
fix k0_H2 all property/atom k0_cfd6 vector yes no no 30 23 160
|
||||
fix Ea_H2 all property/atom Ea_cfd6 vector yes no no 63627 71162 92092
|
||||
|
||||
# particle porosity/tortuosity/pore diameter
|
||||
fix porosity all property/atom porosity_ vector yes no no 0.65 0.31 0.16 0.15
|
||||
fix tortuosity all property/global tortuosity_ scalar 3
|
||||
fix pore_diameter all property/global pore_diameter_ scalar 7e-7
|
||||
fix porosity all property/atom porosity_ vector yes no no 0.65 0.31 0.16 0.15
|
||||
fix tortuosity all property/global tortuosity_ scalar 3
|
||||
fix pore_diameter all property/global pore_diameter_ scalar 7e-7
|
||||
|
||||
# define layer properties
|
||||
fix LayerRelRadii all property/atom relRadii vector yes no no 1.0 0.998 0.995 0.98
|
||||
|
||||
### define fix for mass layer - initial testing
|
||||
fix LayerMasses all property/atom massLayer vector yes no no 0. 0. 0. 0.
|
||||
fix LayerDennsities all property/global density_all vector 7870. 5740. 5170. 5240.
|
||||
# define fix for mass layer - initial testing
|
||||
fix LayerMasses all property/atom massLayer vector yes no no 0. 0. 0. 0.
|
||||
fix LayerDennsities all property/global density_all vector 7870. 5740. 5170. 5240.
|
||||
|
||||
## define fix for rho_eff and fracRed - initialize as zero
|
||||
fix fracRed all property/atom fracRed_all vector yes no no 0. 0. 0.
|
||||
fix rhoeff all property/atom rhoeff vector yes no no 0. 0. 0. 0.
|
||||
# define fix for rho_eff and fracRed - initialize as zero
|
||||
fix fracRed all property/atom fracRed_all vector yes no no 0. 0. 0.
|
||||
fix rhoeff all property/atom rhoeff vector yes no no 0. 0. 0. 0.
|
||||
|
||||
###############
|
||||
# Write data into files for post-processing
|
||||
|
||||
variable WI equal 10
|
||||
variable WI equal 10
|
||||
variable time equal time
|
||||
variable m1 equal mass[1]
|
||||
variable m1 equal mass[1]
|
||||
variable rp equal radius[1]
|
||||
variable rho1 equal mass[1]/((4/3)*PI*radius[1]*radius[1]*radius[1])
|
||||
fix printmass all print ${WI} "${time} ${m1} ${rho1} ${rp}" file mass_rho_rad.txt title "#time mass rho rad_par"
|
||||
@ -99,79 +99,79 @@ compute KinEn all ke
|
||||
variable ke_tot equal c_KinEn
|
||||
|
||||
# print total kinetic energy
|
||||
fix printCompute all print ${WI} "${time} ${ke_tot}" file printKE.txt title "#time ke_tot"
|
||||
fix printCompute all print ${WI} "${time} ${ke_tot}" file printKE.txt title "#time ke_tot"
|
||||
|
||||
compute Ea_CO all reduce sum f_Ea_CO[1] f_Ea_CO[2] f_Ea_CO[3]
|
||||
fix Ea all ave/time 1 1 1 c_Ea_CO[1] c_Ea_CO[2] c_Ea_CO[3]
|
||||
variable Ea1 equal f_Ea[1]
|
||||
variable Ea2 equal f_Ea[2]
|
||||
variable Ea3 equal f_Ea[3]
|
||||
fix Ea all ave/time 1 1 1 c_Ea_CO[1] c_Ea_CO[2] c_Ea_CO[3]
|
||||
variable Ea1 equal f_Ea[1]
|
||||
variable Ea2 equal f_Ea[2]
|
||||
variable Ea3 equal f_Ea[3]
|
||||
|
||||
compute k0CO all reduce sum f_k0_CO[1] f_k0_CO[2] f_k0_CO[3]
|
||||
fix k0 all ave/time 1 1 1 c_k0CO[1] c_k0CO[2] c_k0CO[3]
|
||||
fix k0 all ave/time 1 1 1 c_k0CO[1] c_k0CO[2] c_k0CO[3]
|
||||
variable k01 equal f_k0[1]
|
||||
variable k02 equal f_k0[2]
|
||||
variable k03 equal f_k0[3]
|
||||
|
||||
fix printk0Ea all print ${WI} "${time} ${Ea1} ${Ea2} ${Ea3} ${k01} ${k02} ${k03}" file k0Ea.dat title "#time Ea1 Ea2 Ea3 k01 k02 k03"
|
||||
fix printk0Ea all print ${WI} "${time} ${Ea1} ${Ea2} ${Ea3} ${k01} ${k02} ${k03}" file k0Ea.dat title "#time Ea1 Ea2 Ea3 k01 k02 k03"
|
||||
|
||||
###############
|
||||
# Print out values affecting chemical reduction into specified folder for given time
|
||||
# Diffusion Coefficient for CO and H2
|
||||
|
||||
compute COdiff all reduce sum f_CO_diffCoeff
|
||||
fix diffField_CO all ave/time 1 1 1 c_COdiff
|
||||
fix diffField_CO all ave/time 1 1 1 c_COdiff
|
||||
variable CO_diffCo equal f_diffField_CO
|
||||
|
||||
fix printDCoeff all print ${WI} "${time} ${CO_diffCo}" file DiffCoeff.dat title "#time CO_diffCoeff"
|
||||
fix printDCoeff all print ${WI} "${time} ${CO_diffCo}" file DiffCoeff.dat title "#time CO_diffCoeff"
|
||||
|
||||
###############
|
||||
# Specific Resistance terms depending on reacting gases
|
||||
|
||||
compute ACOd1 all reduce sum f_Aterm_cfd5[1] f_Aterm_cfd5[2] f_Aterm_cfd5[3]
|
||||
fix ACOd1 all ave/time 1 1 1 c_ACOd1[1] c_ACOd1[2] c_ACOd1[3]
|
||||
fix ACOd1 all ave/time 1 1 1 c_ACOd1[1] c_ACOd1[2] c_ACOd1[3]
|
||||
variable a_CO_1 equal f_ACOd1[1]
|
||||
variable a_CO_2 equal f_ACOd1[2]
|
||||
variable a_CO_3 equal f_ACOd1[3]
|
||||
|
||||
compute BCOd1 all reduce sum f_Bterm_cfd5[1] f_Bterm_cfd5[2] f_Bterm_cfd5[3]
|
||||
fix BCOd1 all ave/time 10 1 10 c_BCOd1[1] c_BCOd1[2] c_BCOd1[3]
|
||||
fix BCOd1 all ave/time 10 1 10 c_BCOd1[1] c_BCOd1[2] c_BCOd1[3]
|
||||
variable b_CO_1 equal f_BCOd1[1]
|
||||
variable b_CO_2 equal f_BCOd1[2]
|
||||
variable b_CO_3 equal f_BCOd1[3]
|
||||
|
||||
compute MCOd1 all reduce sum f_Massterm_cfd5
|
||||
fix MTCOd1 all ave/time 10 1 10 c_MCOd1
|
||||
fix MTCOd1 all ave/time 10 1 10 c_MCOd1
|
||||
variable mt_CO equal f_MTCOd1
|
||||
|
||||
fix printAterm all print ${WI} "${time} ${a_CO_1} ${a_CO_2} ${a_CO_3}" file Aterm.dat title "#time a_CO_1 aCO_2 a_CO_3"
|
||||
fix printAterm all print ${WI} "${time} ${a_CO_1} ${a_CO_2} ${a_CO_3}" file Aterm.dat title "#time a_CO_1 aCO_2 a_CO_3"
|
||||
|
||||
fix printBterm all print ${WI} "${time} ${b_CO_1} ${b_CO_2} ${b_CO_3}" file Bterm.dat title "#time b_CO_1 b_CO_2 b_CO_3"
|
||||
fix printBterm all print ${WI} "${time} ${b_CO_1} ${b_CO_2} ${b_CO_3}" file Bterm.dat title "#time b_CO_1 b_CO_2 b_CO_3"
|
||||
|
||||
fix printMassTerm all print ${WI} "${time} ${mt_CO}" file MassTerm.dat title "#time mt_CO"
|
||||
fix printMassTerm all print ${WI} "${time} ${mt_CO}" file MassTerm.dat title "#time mt_CO"
|
||||
|
||||
# Print out fractional reduction for specific diameter ranges as well as total fractional reduction
|
||||
|
||||
###############
|
||||
# print out rate change of mass for gaseous reactant
|
||||
compute dmdot all reduce sum f_dmA_cfd5[1] f_dmA_cfd5[2] f_dmA_cfd5[3]
|
||||
fix dmA_val all ave/time 1 1 1 c_dmdot[1] c_dmdot[2] c_dmdot[3]
|
||||
fix dmA_val all ave/time 1 1 1 c_dmdot[1] c_dmdot[2] c_dmdot[3]
|
||||
variable dmdot_1 equal f_dmA_val[1]
|
||||
variable dmdot_2 equal f_dmA_val[2]
|
||||
variable dmdot_3 equal f_dmA_val[3]
|
||||
|
||||
fix printdmdot all print ${WI} "${time} ${dmdot_1} ${dmdot_2} ${dmdot_3}" file dmdot.dat title "#time dmdot_1 dmdot_2 dmdot_3"
|
||||
fix printdmdot all print ${WI} "${time} ${dmdot_1} ${dmdot_2} ${dmdot_3}" file dmdot.dat title "#time dmdot_1 dmdot_2 dmdot_3"
|
||||
|
||||
compute dmdot_H2 all reduce sum f_dmA_cfd6[1] f_dmA_cfd6[2] f_dmA_cfd6[3]
|
||||
fix dmA_valH2 all ave/time 1 1 1 c_dmdot_H2[1] c_dmdot_H2[2] c_dmdot_H2[3]
|
||||
fix dmA_valH2 all ave/time 1 1 1 c_dmdot_H2[1] c_dmdot_H2[2] c_dmdot_H2[3]
|
||||
variable dmdot_H2_1 equal f_dmA_valH2[1]
|
||||
variable dmdot_H2_2 equal f_dmA_valH2[2]
|
||||
variable dmdot_H2_3 equal f_dmA_valH2[3]
|
||||
|
||||
fix printdmdotH2 all print ${WI} "${time} ${dmdot_H2_1} ${dmdot_H2_2} ${dmdot_H2_3}" file dmdotH2.dat title "#time dmdot_1 dmdot_2 dmdot_3"
|
||||
fix printdmdotH2 all print ${WI} "${time} ${dmdot_H2_1} ${dmdot_H2_2} ${dmdot_H2_3}" file dmdotH2.dat title "#time dmdot_1 dmdot_2 dmdot_3"
|
||||
|
||||
compute fr_1 all reduce sum f_fracRed[1] f_fracRed[2] f_fracRed[3]
|
||||
fix fr_d1 all ave/time 1 1 1 c_fr_1[1] c_fr_1[2] c_fr_1[3]
|
||||
fix fr_d1 all ave/time 1 1 1 c_fr_1[1] c_fr_1[2] c_fr_1[3]
|
||||
variable fr_d1_1 equal f_fr_d1[1]
|
||||
variable fr_d1_2 equal f_fr_d1[2]
|
||||
variable fr_d1_3 equal f_fr_d1[3]
|
||||
@ -179,27 +179,27 @@ variable fr_d1_3 equal f_fr_d1[3]
|
||||
# Calculate total fractional reduction to be written into the dump file for postProcessing/graphical representation
|
||||
variable frOV_d1 equal 1/9*(f_fr_d1[3])+2/9*(f_fr_d1[2])+6/9*(f_fr_d1[1])
|
||||
|
||||
fix printfr1 all print ${WI} "${time} ${fr_d1_1} ${fr_d1_2} ${fr_d1_3} ${frOV_d1}" file fr_d1.dat title "#time fr_d1_1 fr_d1_2 fr_d1_3 fr_overall_d1"
|
||||
fix printfr1 all print ${WI} "${time} ${fr_d1_1} ${fr_d1_2} ${fr_d1_3} ${frOV_d1}" file fr_d1.dat title "#time fr_d1_1 fr_d1_2 fr_d1_3 fr_overall_d1"
|
||||
|
||||
###############################################
|
||||
## Check Layer Radii and Write them to files ###
|
||||
compute layerRad1 all reduce sum f_LayerRelRadii[1]
|
||||
fix redRad1 all ave/time 1 1 1 c_layerRad1
|
||||
compute layerRad1 all reduce sum f_LayerRelRadii[1]
|
||||
fix redRad1 all ave/time 1 1 1 c_layerRad1
|
||||
variable rr1 equal f_redRad1
|
||||
|
||||
compute layerRad2 all reduce sum f_LayerRelRadii[2]
|
||||
fix redRad2 all ave/time 1 1 1 c_layerRad2
|
||||
fix redRad2 all ave/time 1 1 1 c_layerRad2
|
||||
variable rr2 equal f_redRad2
|
||||
|
||||
compute layerRad3 all reduce sum f_LayerRelRadii[3]
|
||||
fix redRad3 all ave/time 1 1 1 c_layerRad3
|
||||
fix redRad3 all ave/time 1 1 1 c_layerRad3
|
||||
variable rr3 equal f_redRad3
|
||||
|
||||
compute layerRad4 all reduce sum f_LayerRelRadii[4]
|
||||
fix redRad4 all ave/time 1 1 1 c_layerRad4
|
||||
fix redRad4 all ave/time 1 1 1 c_layerRad4
|
||||
variable rr4 equal f_redRad4
|
||||
|
||||
fix printRelRadii all print ${WI} "${time} ${rr1} ${rr2} ${rr3} ${rr4}" file relRadii.dat title "#time relRad_1 relRad_2 relRad_3 relRad_4"
|
||||
fix printRelRadii all print ${WI} "${time} ${rr1} ${rr2} ${rr3} ${rr4}" file relRadii.dat title "#time relRad_1 relRad_2 relRad_3 relRad_4"
|
||||
###############
|
||||
|
||||
# screen output
|
||||
@ -209,5 +209,6 @@ thermo 10
|
||||
thermo_modify lost ignore norm no
|
||||
compute_modify thermo_temp dynamic yes
|
||||
|
||||
dump dmp all custom 100 ../DEM/post/dump*.liggghts_run id type x y z vx vy vz fx fy fz radius mass f_fracRed[1] f_fracRed[2] f_fracRed[3]
|
||||
run 1
|
||||
dump dmp all custom 100 ../DEM/post/dump*.liggghts_run id type x y z vx vy vz fx fy fz radius mass f_fracRed[1] f_fracRed[2] f_fracRed[3]
|
||||
|
||||
run 1
|
||||
|
||||
Reference in New Issue
Block a user