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clean up whitespaces and comments

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This commit is contained in:
Daniel Queteschiner
2019-09-19 12:28:50 +02:00
parent faba96f750
commit a854a89116
25 changed files with 242 additions and 251 deletions
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7
tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/Allrun.sh
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@ -1,9 +1,8 @@
#!/bin/bash #!/bin/bash
#===================================================================# #===================================================================#
# allrun script for testcase as part of test routine # allrun script for testcase
# run settlingTest # M. Efe Kinaci - Sep 2018
# Christoph Goniva - Sept. 2010
#===================================================================# #===================================================================#
#- source CFDEM env vars #- source CFDEM env vars
@ -33,7 +32,7 @@ else
blockMesh blockMesh
fi fi
if [ -f "$casePath/DEM/post/restart/liggghts.restart" ]; then if [ -f "$casePath/DEM/post/restart/liggghts.restart" ]; then
echo "LIGGGHTS init was run before - using existing restart file" echo "LIGGGHTS init was run before - using existing restart file"
else else
#- run DEM in new terminal #- run DEM in new terminal

8
tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/0/CO
View File

@ -17,7 +17,7 @@ FoamFile
dimensions [0 0 0 0 0 0 0]; dimensions [0 0 0 0 0 0 0];
internalField uniform 0.351; internalField uniform 0.351;
boundaryField boundaryField
{ {
@ -38,13 +38,13 @@ boundaryField
inlet inlet
{ {
type fixedValue; type fixedValue;
value uniform 0.351; value uniform 0.351;
} }
outlet outlet
{ {
type zeroGradient; type zeroGradient;
} }
} }

4
tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/0/CO2
View File

@ -38,12 +38,12 @@ boundaryField
inlet inlet
{ {
type zeroGradient; type zeroGradient;
} }
outlet outlet
{ {
type zeroGradient; type zeroGradient;
} }
} }

2
tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/0/N2
View File

@ -39,7 +39,7 @@ boundaryField
inlet inlet
{ {
type fixedValue; type fixedValue;
value uniform 0.5865; value uniform 0.5865;
} }
outlet outlet

4
tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/0/T
View File

@ -17,7 +17,7 @@ FoamFile
dimensions [0 0 0 1 0 0 0]; dimensions [0 0 0 1 0 0 0];
internalField uniform 1223.15; // 950 + 273.15 internalField uniform 1223.15; // 950 + 273.15
boundaryField boundaryField
{ {
@ -39,7 +39,7 @@ boundaryField
inlet inlet
{ {
type fixedValue; type fixedValue;
value uniform 1223.15; value uniform 1223.15;
} }
outlet outlet

6
tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/0/U
View File

@ -23,15 +23,15 @@ boundaryField
{ {
top top
{ {
type zeroGradient; type zeroGradient;
} }
bottom bottom
{ {
type zeroGradient; type zeroGradient;
} }
side-walls side-walls
{ {
type zeroGradient; type zeroGradient;
} }
inlet inlet
{ {

2
tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/0/Us
View File

@ -33,7 +33,7 @@ boundaryField
{ {
type zeroGradient; type zeroGradient;
} }
inlet inlet
{ {
type zeroGradient; type zeroGradient;

2
tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/0/voidfraction
View File

@ -39,7 +39,7 @@ boundaryField
inlet inlet
{ {
type fixedValue; type fixedValue;
value $internalField; value $internalField;
} }
outlet outlet

2
tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/constant/combustionProperties
View File

@ -20,7 +20,7 @@ combustionModel noCombustion<rhoThermoCombustion>; //PaSR<rhoChemistryCombusti
active false; //true; active false; //true;
noCombustionCoeffs noCombustionCoeffs
{ {
} }

49
tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/constant/couplingProperties
View File

@ -32,7 +32,7 @@ couplingInterval 50;
voidFractionModel divided;//centre;// voidFractionModel divided;//centre;//
locateModel engine; //turboEngineM2M;// locateModel engine; //turboEngineM2M;//
meshMotionModel noMeshMotion; meshMotionModel noMeshMotion;
@ -42,11 +42,11 @@ IOModel basicIO;
probeModel off; probeModel off;
dataExchangeModel twoWayMPI;//twoWayM2M;//twoWayFiles;//oneWayVTK;// dataExchangeModel twoWayMPI;
averagingModel dilute; //dense;//// averagingModel dilute; //dense;//
clockModel off;//standardClock;//off; clockModel off;//standardClock;//
smoothingModel off;// localPSizeDiffSmoothing;// constDiffSmoothing; // smoothingModel off;// localPSizeDiffSmoothing;// constDiffSmoothing; //
@ -59,13 +59,13 @@ forceModels
energyModels energyModels
( (
heatTransferGunn heatTransferGunn
reactionHeat reactionHeat
); );
thermCondModel SyamlalThermCond; thermCondModel SyamlalThermCond;
chemistryModels chemistryModels
( (
species species
diffusionCoefficients diffusionCoefficients
@ -84,8 +84,8 @@ turbulenceModelType "turbulenceProperties";//"LESProperties";//
// sub-model properties // sub-model properties
reactionHeatProps reactionHeatProps
{ {
reactionHeatName "reactionHeat"; reactionHeatName "reactionHeat";
verbose false; verbose false;
} }
heatTransferGunnProps heatTransferGunnProps
@ -118,19 +118,18 @@ diffusionCoefficientsProps
massTransferCoeffProps massTransferCoeffProps
{ {
verbose false; verbose false;
interpolation false; interpolation false;
} }
reactantPerParticleProps reactantPerParticleProps
{ {
} }
SyamlalThermCondProps SyamlalThermCondProps
{ {
voidfractionFieldName "voidfraction"; voidfractionFieldName "voidfraction";
rhoFieldName "rho"; rhoFieldName "rho";
} }
LaEuScalarTempProps LaEuScalarTempProps
@ -149,7 +148,7 @@ localPSizeDiffSmoothingProps
lowerLimit 0.1; lowerLimit 0.1;
upperLimit 1e10; upperLimit 1e10;
dSmoothingLength 1.5e-3; dSmoothingLength 1.5e-3;
Csmoothing 1.0; Csmoothing 1.0;
} }
constDiffSmoothingProps constDiffSmoothingProps
@ -213,11 +212,8 @@ GidaspowDragProps
velFieldName "U"; velFieldName "U";
granVelFieldName "Us"; granVelFieldName "Us";
voidfractionFieldName "voidfraction"; voidfractionFieldName "voidfraction";
interpolation true; //interpolation is on interpolation true;
phi 1; phi 1;
//implForceDEM true;
//implForceDEMaccumulated true;
//explicitCorr true;
} }
BeetstraDragProps BeetstraDragProps
@ -228,8 +224,8 @@ BeetstraDragProps
voidfractionFieldName "voidfraction"; voidfractionFieldName "voidfraction";
interpolation false; interpolation false;
useFilteredDragModel ; useFilteredDragModel ;
useParcelSizeDependentFilteredDrag ; useParcelSizeDependentFilteredDrag;
rhoP 4630.; rhoP 4630.;
dPrim 0.00022; dPrim 0.00022;
rho 1.58; rho 1.58;
nuf 1.126e-05; nuf 1.126e-05;
@ -247,7 +243,6 @@ DEMbasedDragProps
DiFeliceDragProps DiFeliceDragProps
{ {
//verbose true;
velFieldName "U"; velFieldName "U";
voidfractionFieldName "voidfraction"; voidfractionFieldName "voidfraction";
granVelFieldName "Us"; granVelFieldName "Us";
@ -260,13 +255,7 @@ KochHillDragProps
velFieldName "U"; velFieldName "U";
voidfractionFieldName "voidfraction"; voidfractionFieldName "voidfraction";
interpolation false; interpolation false;
//forceSubModels
//(
// ImExCorr
//);
implForceDEM true; implForceDEM true;
//implForceDEMaccumulated true;
//explicitCorr true;
} }
RongDragProps RongDragProps
@ -327,7 +316,7 @@ engineProps
turboEngineProps turboEngineProps
{ {
treeSearch true; treeSearch true;
} }
turboEngineM2MProps turboEngineM2MProps

5
tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/constant/foam.dat
View File

@ -32,6 +32,7 @@ H2
Pr 0.76; Pr 0.76;
} }
} }
H2O H2O
{ {
specie specie
@ -49,7 +50,7 @@ H2O
mu 1.7e-05; mu 1.7e-05;
Pr 0.99; Pr 0.99;
} }
} }
CO CO
{ {
@ -68,7 +69,7 @@ CO
mu 1.66e-05; mu 1.66e-05;
Pr 0.792; Pr 0.792;
} }
} }
CO2 CO2
{ {

6
tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/constant/foam.inp
View File

@ -1,8 +1,8 @@
species species
( (
CO CO
CO2 CO2
N2 N2
); );
reactions reactions

56
tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/constant/polyMesh/cylinderMesh.m4
View File

@ -27,13 +27,13 @@ define(vlabel, [[// ]Vertex $1 = VCOUNT define($1, VCOUNT)define([VCOUNT], incr(
define(D, 0.075) //75 mm column diameter define(D, 0.075) //75 mm column diameter
define(L, 0.15) //150 mm length define(L, 0.15) //150 mm length
define(PI, 3.14159265) define(PI, 3.14159265)
define(R, calc(D/2)) define(R, calc(D/2))
define(CW, calc(D/4)) //Width of middle square section define(CW, calc(D/4)) //Width of middle square section
define(CX, calc(R*cos((PI/180)*45))) define(CX, calc(R*cos((PI/180)*45)))
define(CZ, calc(R*sin((PI/180)*45))) define(CZ, calc(R*sin((PI/180)*45)))
define(NPS, 4) //how many cells in the square section define(NPS, 4) //how many cells in the square section
define(NPD, 2) //how many cells from square section to perimeter define(NPD, 2) //how many cells from square section to perimeter
define(NPY, 15) // how many cells from top to bottom define(NPY, 15) // how many cells from top to bottom
@ -59,49 +59,49 @@ define(vlabel, [[// ]Vertex $1 = VCOUNT define($1, VCOUNT)define([VCOUNT], incr(
(-CX L CZ) vlabel(sevenoclockct) (-CX L CZ) vlabel(sevenoclockct)
(-CX L -CZ) vlabel(elevenoclockct) (-CX L -CZ) vlabel(elevenoclockct)
( CX L -CZ) vlabel(oneoclockct) ( CX L -CZ) vlabel(oneoclockct)
); );
blocks blocks
( (
//square block //square block
hex ( hex (
sevenoclocksqb fiveoclocksqb oneoclocksqb elevenoclocksqb sevenoclocksqb fiveoclocksqb oneoclocksqb elevenoclocksqb
sevenoclocksqt fiveoclocksqt oneoclocksqt elevenoclocksqt sevenoclocksqt fiveoclocksqt oneoclocksqt elevenoclocksqt
) )
(NPS NPS NPY) (NPS NPS NPY)
simpleGrading (1 1 1) simpleGrading (1 1 1)
//slice1 //slice1
hex ( hex (
sevenoclockcb fiveoclockcb fiveoclocksqb sevenoclocksqb sevenoclockcb fiveoclockcb fiveoclocksqb sevenoclocksqb
sevenoclockct fiveoclockct fiveoclocksqt sevenoclocksqt sevenoclockct fiveoclockct fiveoclocksqt sevenoclocksqt
) )
(NPS NPD NPY) (NPS NPD NPY)
simpleGrading (1 1 1) simpleGrading (1 1 1)
//slice2 //slice2
hex ( hex (
sevenoclocksqb elevenoclocksqb elevenoclockcb sevenoclockcb sevenoclocksqb elevenoclocksqb elevenoclockcb sevenoclockcb
sevenoclocksqt elevenoclocksqt elevenoclockct sevenoclockct sevenoclocksqt elevenoclocksqt elevenoclockct sevenoclockct
) )
(NPS NPD NPY) (NPS NPD NPY)
simpleGrading (1 1 1) simpleGrading (1 1 1)
//slice3 //slice3
hex ( hex (
elevenoclocksqb oneoclocksqb oneoclockcb elevenoclockcb elevenoclocksqb oneoclocksqb oneoclockcb elevenoclockcb
elevenoclocksqt oneoclocksqt oneoclockct elevenoclockct elevenoclocksqt oneoclocksqt oneoclockct elevenoclockct
) )
(NPS NPD NPY) (NPS NPD NPY)
simpleGrading (1 1 1) simpleGrading (1 1 1)
//slice4 //slice4
hex ( hex (
oneoclocksqb fiveoclocksqb fiveoclockcb oneoclockcb oneoclocksqb fiveoclocksqb fiveoclockcb oneoclockcb
oneoclocksqt fiveoclocksqt fiveoclockct oneoclockct oneoclocksqt fiveoclocksqt fiveoclockct oneoclockct
) )
(NPS NPD NPY) (NPS NPD NPY)
simpleGrading (1 1 1) simpleGrading (1 1 1)
); );

14
tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/constant/thermophysicalProperties
View File

@ -17,12 +17,12 @@ FoamFile
thermoType thermoType
{ {
type heRhoThermo; //hePsiThermo; // type heRhoThermo; //hePsiThermo; //
mixture reactingMixture; //species and reactions are listed in chemistry file 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 transport const; //sutherland; //calcualtes viscosity as a function of temperature from Stuherland coefficient As and Ts
thermo hConst; //janaf; thermo hConst; //janaf;
equationOfState perfectGas; equationOfState perfectGas;
energy sensibleInternalEnergy; //sensibleEnthalpy; //uses enthaly in the solution energy sensibleInternalEnergy; //sensibleEnthalpy;
specie specie; specie specie;
} }
@ -32,6 +32,6 @@ foamChemistryThermoFile "$casePath/CFD/constant/foam.dat";
foamChemistryFile "$casePath/CFD/constant/foam.inp"; foamChemistryFile "$casePath/CFD/constant/foam.inp";
inertSpecie N2; inertSpecie N2;
// ************************************************************************* // // ************************************************************************* //

14
tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/constant/transportProperties
View File

@ -17,18 +17,18 @@ FoamFile
transportModel Newtonian; 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 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]; // dynamic viscosity of O2 = 2,04-10^-5[kg/ms];
// density of O2 = 1.4290 [kg/m^3] // density of O2 = 1.4290 [kg/m^3]
// kinematic viscosity of air (o2+n2) = 1.48e-05; // kinematic viscosity of air (o2+n2) = 1.48e-05;
kf kf [ 1 1 -3 -1 0 0 0 ] 0.0507; // comes from energy model kf kf [ 1 1 -3 -1 0 0 0 ] 0.0507; // comes from energy model
Cp Cp [ 0 2 -2 -1 0 0 0 ] 1118.15; // comes from energy model Cp Cp [ 0 2 -2 -1 0 0 0 ] 1118.15; // comes from energy model
// ******* Non-Newtonian transport properties ************************ // // ******* Non-Newtonian transport properties ************************ //
/*CrossPowerLawCoeffs /*CrossPowerLawCoeffs
{ {
nu0 nu0 [ 0 2 -1 0 0 0 0 ] 1e-06; nu0 nu0 [ 0 2 -1 0 0 0 0 ] 1e-06;
nuInf nuInf [ 0 2 -1 0 0 0 0 ] 1e-06; nuInf nuInf [ 0 2 -1 0 0 0 0 ] 1e-06;

91
tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/system/controlDict
View File

@ -29,7 +29,7 @@ deltaT 1;
writeControl timeStep; writeControl timeStep;
writeInterval 50; writeInterval 50;
purgeWrite 10; purgeWrite 10;
@ -53,62 +53,65 @@ maxDeltaT 0.1;
// ************************************************************************* // // ************************************************************************* //
libs ( libs
"libfieldFunctionObjects.so" (
); "libfieldFunctionObjects.so"
);
functions functions
{ {
moleFrac moleFrac
{ {
type rhoReactionThermoMoleFractions; type rhoReactionThermoMoleFractions;
} }
probes1 probes1
{ {
type probes; type probes;
functionObjectLibs ("libsampling.so"); functionObjectLibs ("libsampling.so");
#include "probesDict";
#include "probesDict";
} }
fieldMinMax_T fieldMinMax_T
{ {
type fieldMinMax; type fieldMinMax;
libs ("libfieldFunctionObjects.so"); libs ("libfieldFunctionObjects.so");
fields (T); fields (T);
// Report the location of the field extrema // Report the location of the field extrema
location yes; location yes;
// Type of extrema for rank > 0 primitives // Type of extrema for rank > 0 primitives
mode magnitude; // magnitude | component 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;
} }
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 globalMassFrac
{ {
type volRegion; type volRegion;
libs ("libfieldFunctionObjects.so"); libs ("libfieldFunctionObjects.so");
writeControl timeStep;//outputTime; writeControl timeStep;//outputTime;
writeInterval 1; writeInterval 1;
log true; log true;
writeFields false; writeFields false;
regionType all; regionType all;
@ -120,14 +123,14 @@ functions
CO2 CO2
CO CO
N2 N2
); );
} }
globalMass globalMass
{ {
type volRegion; type volRegion;
libs ("libfieldFunctionObjects.so"); libs ("libfieldFunctionObjects.so");
writeControl timeStep;//outputTime; writeControl timeStep;//outputTime;
writeInterval 1; writeInterval 1;
log true; log true;
writeFields false; writeFields false;
@ -140,6 +143,6 @@ functions
rho rho
); );
} }
} }
// ************************************************************************* // // ************************************************************************* //

1
tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/system/decomposeParDict
View File

@ -17,7 +17,6 @@ FoamFile
numberOfSubdomains 2; numberOfSubdomains 2;
//method scotch;
method simple; method simple;
simpleCoeffs simpleCoeffs

2
tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/system/fvOptions
View File

@ -25,6 +25,6 @@ limitedTemperature
Tmin 1200; Tmin 1200;
Tmax 2500; Tmax 2500;
} }
} }

34
tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/system/fvSchemes
View File

@ -25,36 +25,36 @@ gradSchemes
default Gauss linear; default Gauss linear;
grad(p) cellMDLimited leastSquares 0.5; grad(p) cellMDLimited leastSquares 0.5;
grad(U) cellMDLimited leastSquares 0.5; //cellLimited Gauss linear 1; // grad(U) cellMDLimited leastSquares 0.5; //cellLimited Gauss linear 1; //
grad(h) cellMDLimited leastSquares 0.5; grad(h) cellMDLimited leastSquares 0.5;
grad(e) cellMDLimited leastSquares 0.5; grad(e) cellMDLimited leastSquares 0.5;
} }
divSchemes divSchemes
{ {
default Gauss linear; default Gauss linear;
div(phi,U) Gauss limitedLinear 1; //Gauss linear; //Gauss limitedLinear 1; // //Gauss limitedLinearV 1; // div(phi,U) Gauss limitedLinear 1; //Gauss linear; //Gauss limitedLinearV 1;
div(phid,p) Gauss limitedLinear 1; //Gauss upwind; //Gauss limitedLinearV 1; div(phid,p) Gauss limitedLinear 1; //Gauss upwind; //Gauss limitedLinearV 1;
div(phi,K) Gauss limitedLinear 1; div(phi,K) Gauss limitedLinear 1;
div(phi,h) Gauss limitedLinear 1; //Gauss upwind; div(phi,h) Gauss limitedLinear 1; //Gauss upwind;
div(phi,k) Gauss limitedLinear 1; //Gauss upwind; div(phi,k) Gauss limitedLinear 1; //Gauss upwind;
div(phi,epsilon) Gauss limitedLinear 1; //Gauss upwind; div(phi,epsilon) Gauss limitedLinear 1; //Gauss upwind;
div(U) Gauss limitedLinear 1; div(U) Gauss limitedLinear 1;
div(phi,Yi_h) Gauss multivariateSelection div(phi,Yi_h) Gauss multivariateSelection
{ {
CO limitedLinear01 1; CO limitedLinear01 1;
H2 limitedLinear01 1; H2 limitedLinear01 1;
N2 limitedLinear01 1; N2 limitedLinear01 1;
H2O limitedLinear01 1; H2O limitedLinear01 1;
CO2 limitedLinear01 1; CO2 limitedLinear01 1;
h limitedLinear 1; h limitedLinear 1;
e limitedLinear 1; e limitedLinear 1;
} }
// div((muEff*dev2(T(grad(U))))) Gauss linear; // div((muEff*dev2(T(grad(U))))) Gauss linear;
div((viscousTerm*dev2(grad(U).T()))) Gauss linear; div((viscousTerm*dev2(grad(U).T()))) Gauss linear;
div((thermo:mu*dev(grad(U).T()))) Gauss linear; div((thermo:mu*dev(grad(U).T()))) Gauss linear;
div((nuEff*dev2(T(grad(U))))) Gauss linear; div((nuEff*dev2(T(grad(U))))) Gauss linear;
div(phi,T) Gauss limitedLinear 1; div(phi,T) Gauss limitedLinear 1;
} }
laplacianSchemes laplacianSchemes

40
tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/system/fvSolution
View File

@ -22,7 +22,7 @@ solvers
preconditioner DIC; preconditioner DIC;
tolerance 1e-6; tolerance 1e-6;
relTol 0.01; relTol 0.01;
/*solver GAMG; /*solver GAMG;
tolerance 1e-06; tolerance 1e-06;
relTol 0.01; relTol 0.01;
smoother GaussSeidel; smoother GaussSeidel;
@ -48,20 +48,20 @@ solvers
preconditioner DIC; preconditioner DIC;
tolerance 1e-6; tolerance 1e-6;
relTol 0.01; relTol 0.01;
/*solver smoothSolver; /*solver smoothSolver;
smoother symGaussSeidel; smoother symGaussSeidel;
tolerance 1e-6; tolerance 1e-6;
relTol 0.1; relTol 0.1;
nSweeps 3;*/ nSweeps 3;*/
} }
"(rho|G)Final" "(rho|G)Final"
{ {
$rho; $rho;
tolerance 1e-06; tolerance 1e-06;
relTol 0; relTol 0;
} }
"(U|h|e|R|k|epsilon)" "(U|h|e|R|k|epsilon)"
{ {
solver smoothSolver; solver smoothSolver;
@ -76,14 +76,14 @@ solvers
tolerance 1e-05; tolerance 1e-05;
relTol 0; relTol 0;
} }
"(Yi|CO|CO2|H2|H2O|N2)" "(Yi|CO|CO2|H2|H2O|N2)"
{ {
solver smoothSolver; solver smoothSolver;
smoother symGaussSeidel; smoother symGaussSeidel;
tolerance 1e-06; tolerance 1e-06;
relTol 0.01; relTol 0.01;
maxIter 100; maxIter 100;
} }
"(Yi|CO|CO2|H2|H2O|N2)Final" "(Yi|CO|CO2|H2|H2O|N2)Final"
@ -91,9 +91,9 @@ solvers
$Yi; $Yi;
tolerance 1e-06; tolerance 1e-06;
relTol 0; relTol 0;
maxIter 100; maxIter 100;
} }
T T
{ {
solver PBiCG; solver PBiCG;
@ -107,24 +107,24 @@ PIMPLE
{ {
momentumPredictor yes; momentumPredictor yes;
nOuterCorrectors 5; nOuterCorrectors 5;
nCorrectors 2; nCorrectors 2;
nNonOrthogonalCorrectors 0; nNonOrthogonalCorrectors 0;
rhoMin rhoMin [ 1 -3 0 0 0 ] 0.4; rhoMin rhoMin [ 1 -3 0 0 0 ] 0.4;
rhoMax rhoMax [ 1 -3 0 0 0 ] 2.0; rhoMax rhoMax [ 1 -3 0 0 0 ] 2.0;
} }
relaxationFactors relaxationFactors
{ {
fields fields
{ {
T 0.5; T 0.5;
"(Yi|CO|CO2|H2|H2O|N2)" 0.6; "(Yi|CO|CO2|H2|H2O|N2)" 0.6;
p 0.6; p 0.6;
} }
equations equations
{ {
".*" 0.8; ".*" 0.8;
"(h|e).*" 0.5; "(h|e).*" 0.5;
} }
} }

46
tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/system/probesDict
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@ -1,16 +1,16 @@
/*--------------------------------*- C++ -*----------------------------------*\ /*--------------------------------*- C++ -*----------------------------------*\
| ========= | | | ========= | |
| \ / F ield | OpenFOAM: The Open Source CFD Toolbox | | \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \ / O peration | Version: 2.1.x | | \\ / O peration | Version: 2.1.x |
| \ / A nd | Web: www.OpenFOAM.org | | \\ / A nd | Web: www.OpenFOAM.org |
| \/ M anipulation | | | \\/ M anipulation | |
\*---------------------------------------------------------------------------*/ \*---------------------------------------------------------------------------*/
FoamFile FoamFile
{ {
version 2.0; version 2.0;
format ascii; format ascii;
class dictionary; class dictionary;
object probesDict; object probesDict;
} }
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
@ -18,18 +18,18 @@ FoamFile
fields fields
( (
rho rho
p p
T T
Cpv Cpv
N2 N2
CO2 CO2
CO CO
ModSpeciesMassField_N2 ModSpeciesMassField_N2
ModSpeciesMassField_CO2 ModSpeciesMassField_CO2
ModSpeciesMassField_CO ModSpeciesMassField_CO
X_CO X_CO
X_CO2 X_CO2
); );
writeControl timeStep; writeControl timeStep;
@ -39,9 +39,9 @@ writeInterval 50;
// Locations to be probed. // Locations to be probed.
probeLocations probeLocations
( (
(7.0 2.5 2.5) (7.0 2.5 2.5)
(8.0 2.5 2.5) (8.0 2.5 2.5)
(1.0 2.5 2.5) (1.0 2.5 2.5)
); );
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //

10
tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/DEM/in.liggghts_init
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@ -24,7 +24,7 @@ fix m3 all property/global coefficientRestitution peratomtypepair 1 0.3
fix m4 all property/global coefficientFriction peratomtypepair 1 0.5 fix m4 all property/global coefficientFriction peratomtypepair 1 0.5
# pair style # pair style
pair_style gran model hertz tangential history # Hertzian without cohesion pair_style gran model hertz tangential history
pair_coeff * * pair_coeff * *
# timestep, gravity # timestep, gravity
@ -45,14 +45,14 @@ set atom 1 diameter 0.01106028 density 4300 vx 0 vy 0 vz 0
# screen output # screen output
compute rke all erotate/sphere compute rke all erotate/sphere
thermo_style custom step atoms ke c_rke vol thermo_style custom step atoms ke c_rke vol
thermo 1000 thermo 1000
thermo_modify lost ignore norm no thermo_modify lost ignore norm no
compute_modify thermo_temp dynamic yes compute_modify thermo_temp dynamic yes
# insert the first particles so that dump is not empty # insert the first particles so that dump is not empty
run 1 run 1
dump dmp all custom 100 post/dump.liggghts_init id type x y z vx vy vz fx fy fz radius mass dump dmp all custom 100 ../DEM/post/dump.liggghts_init id type x y z vx vy vz fx fy fz radius mass
run 10 upto run 10 upto
write_restart post/restart/liggghts.restart write_restart ../DEM/post/restart/liggghts.restart

78
tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/DEM/in.liggghts_run
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@ -1,4 +1,4 @@
# Pour granular particles into chute container, then induce flow # chemistry test case
log ../DEM/log.liggghts log ../DEM/log.liggghts
thermo_log ../DEM/post/thermo.txt thermo_log ../DEM/post/thermo.txt
@ -26,7 +26,7 @@ fix m3 all property/global coefficientRestitution peratomtypepair 1 0.3
fix m4 all property/global coefficientFriction peratomtypepair 1 0.5 fix m4 all property/global coefficientFriction peratomtypepair 1 0.5
# pair style # pair style
pair_style gran model hertz tangential history # Hertzian without cohesion pair_style gran model hertz tangential history
pair_coeff * * pair_coeff * *
# timestep, gravity # timestep, gravity
@ -42,8 +42,8 @@ fix zwalls1 all wall/gran model hertz tangential history primitive type 1 zp
fix zwalls2 all wall/gran model hertz tangential history primitive type 1 zplane 0.5 fix zwalls2 all wall/gran model hertz tangential history primitive type 1 zplane 0.5
# Thermal properties # Thermal properties
fix ftco all property/global thermalConductivity peratomtype 1.4 fix ftco all property/global thermalConductivity peratomtype 1.4
fix ftca all property/global thermalCapacity peratomtype 3000 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 fix cfd2 all couple/cfd/force
# this one invokes heat transfer calculation, transfers per-particle temperature and adds convective heat flux to particles # 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 # this should invoke chemistry
fix cfd3 all couple/cfd/chemistry n_species 3 species_names CO CO2 N2 n_diff 1 diffusant_names CO fix cfd3 all couple/cfd/chemistry n_species 3 species_names CO CO2 N2 n_diff 1 diffusant_names CO
@ -65,29 +65,30 @@ fix k0_CO all property/atom k0_cfd5 vector yes no no 17 25 2700
fix Ea_CO all property/atom Ea_cfd5 vector yes no no 69488 73674 113859 fix Ea_CO all property/atom Ea_cfd5 vector yes no no 69488 73674 113859
# particle porosity/tortuosity/pore diameter # particle porosity/tortuosity/pore diameter
fix porosity all property/atom porosity_ vector yes no no 0.65 0.31 0.16 0.15 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 tortuosity all property/global tortuosity_ scalar 3
fix pore_diameter all property/global pore_diameter_ scalar 5.5e-7 fix pore_diameter all property/global pore_diameter_ scalar 5.5e-7
# define layer properties # define layer properties
fix LayerRelRadii all property/atom relRadii vector yes no no 1.0 0.998 0.995 0.98 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 ### define fix for mass layer - initial testing
fix LayerMasses all property/atom massLayer vector yes no no 0. 0. 0. 0. fix LayerMasses all property/atom massLayer vector yes no no 0. 0. 0. 0.
fix LayerDennsities all property/global density_all vector 7870. 5740. 5170. 5240. fix LayerDennsities all property/global density_all vector 7870. 5740. 5170. 5240.
## define fix for rho_eff and fracRed - initialize as zero ## 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 fracRed all property/atom fracRed_all vector yes no no 0. 0. 0.
fix rhoeff all property/atom rhoeff vector yes no no 0. 0. 0. 0. fix rhoeff all property/atom rhoeff vector yes no no 0. 0. 0. 0.
############### ###############
# Write data into files for post-processing # Write data into files for post-processing
variable WI equal 10 variable WI equal 10
variable time equal time variable time equal time
variable m1 equal mass[1] variable m1 equal mass[1]
variable rp equal radius[1] variable rp equal radius[1]
variable rho1 equal mass[1]/((4/3)*PI*radius[1]*radius[1]*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" 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 kinetic energy of particles to see if they are moving changing
@ -95,16 +96,16 @@ compute KinEn all ke
variable ke_tot equal c_KinEn variable ke_tot equal c_KinEn
# print total kinetic energy # 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] 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] 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 Ea1 equal f_Ea[1]
variable Ea2 equal f_Ea[2] variable Ea2 equal f_Ea[2]
variable Ea3 equal f_Ea[3] variable Ea3 equal f_Ea[3]
compute k0CO all reduce sum f_k0_CO[1] f_k0_CO[2] f_k0_CO[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 k01 equal f_k0[1]
variable k02 equal f_k0[2] variable k02 equal f_k0[2]
variable k03 equal f_k0[3] variable k03 equal f_k0[3]
@ -116,28 +117,28 @@ fix printk0Ea all print ${WI} "${time} ${Ea1} ${Ea2} ${Ea3} ${k01} ${k02} ${k03}
# Diffusion Coefficient for CO and H2 # Diffusion Coefficient for CO and H2
compute COdiff all reduce sum f_CO_diffCoeff 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 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 # Specific Resistance terms depending on reacting gases
compute ACOd1 all reduce sum f_Aterm_cfd5[1] f_Aterm_cfd5[2] f_Aterm_cfd5[3] 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_1 equal f_ACOd1[1]
variable a_CO_2 equal f_ACOd1[2] variable a_CO_2 equal f_ACOd1[2]
variable a_CO_3 equal f_ACOd1[3] 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] 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_1 equal f_BCOd1[1]
variable b_CO_2 equal f_BCOd1[2] variable b_CO_2 equal f_BCOd1[2]
variable b_CO_3 equal f_BCOd1[3] variable b_CO_3 equal f_BCOd1[3]
compute MCOd1 all reduce sum f_Massterm_cfd5 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 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"
@ -151,15 +152,15 @@ fix printMassTerm all print ${WI} "${time} ${mt_CO}" file MassTerm.dat title "#t
############### ###############
# print out rate change of mass for gaseous reactant # 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] 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_1 equal f_dmA_val[1]
variable dmdot_2 equal f_dmA_val[2] variable dmdot_2 equal f_dmA_val[2]
variable dmdot_3 equal f_dmA_val[3] 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 fr_1 all reduce sum f_fracRed[1] f_fracRed[2] f_fracRed[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_1 equal f_fr_d1[1]
variable fr_d1_2 equal f_fr_d1[2] variable fr_d1_2 equal f_fr_d1[2]
variable fr_d1_3 equal f_fr_d1[3] variable fr_d1_3 equal f_fr_d1[3]
@ -171,20 +172,20 @@ fix printfr1 all print ${WI} "${time} ${fr_d1_1} ${fr_d1_2} ${fr_d1_3} ${frOV_d1
############################################### ###############################################
## Check Layer Radii and Write them to files ### ## Check Layer Radii and Write them to files ###
compute layerRad1 all reduce sum f_LayerRelRadii[1] compute layerRad1 all reduce sum f_LayerRelRadii[1]
fix redRad1 all ave/time 1 1 1 c_layerRad1 fix redRad1 all ave/time 1 1 1 c_layerRad1
variable rr1 equal f_redRad1 variable rr1 equal f_redRad1
compute layerRad2 all reduce sum f_LayerRelRadii[2] 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 variable rr2 equal f_redRad2
compute layerRad3 all reduce sum f_LayerRelRadii[3] 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 variable rr3 equal f_redRad3
compute layerRad4 all reduce sum f_LayerRelRadii[4] 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 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"
@ -197,5 +198,6 @@ thermo 10
thermo_modify lost ignore norm no thermo_modify lost ignore norm no
compute_modify thermo_temp dynamic yes compute_modify thermo_temp dynamic yes
dump dmp all custom 100 ../DEM/post/dump*.liggghts_run id type x y z vx vy vz fx fy fz radius mass f_fracRed[1] f_fracRed[2] f_fracRed[3] dump dmp all custom 100 ../DEM/post/dump*.liggghts_run id type x y z vx vy vz fx fy fz radius mass f_fracRed[1] f_fracRed[2] f_fracRed[3]
run 1
run 1

5
tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/parCFDDEMrun.sh
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@ -1,9 +1,8 @@
#!/bin/bash #!/bin/bash
#===================================================================# #===================================================================#
# allrun script for testcase as part of test routine # allrun script for testcase
# run settlingTest CFD part # M. Efe Kinaci - Sep 2018
# Christoph Goniva - Feb. 2011
#===================================================================# #===================================================================#
#- source CFDEM env vars #- source CFDEM env vars

5
tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/parDEMrun.sh
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@ -1,9 +1,8 @@
#!/bin/bash #!/bin/bash
#===================================================================# #===================================================================#
# DEMrun script for ErgunTestMPI testcase # DEMrun script for testcase
# init ErgunTestMPI # M. Efe Kinaci - Sep 2018
# Christoph Goniva - July 2014
#===================================================================# #===================================================================#
#- source CFDEM env vars #- source CFDEM env vars