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minor changes, add rel layer radius output

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This commit is contained in:
ekinaci
2017-03-20 09:50:32 +01:00
parent 3718b7326d
commit 6d007f7c97
8 changed files with 23 additions and 11 deletions
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2
tutorials/cfdemSolverRhoPimpleChem/3layerUnreactedCoreTest/CFD/0/O2
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@ -17,7 +17,7 @@ FoamFile
dimensions [0 0 0 0 0 0 0];
internalField uniform 1;
internalField uniform 0.0;
boundaryField
{

2
tutorials/cfdemSolverRhoPimpleChem/3layerUnreactedCoreTest/CFD/0/T
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@ -17,7 +17,7 @@ FoamFile
dimensions [0 0 0 1 0 0 0];
internalField uniform 293.15;
internalField uniform 1473.15;
boundaryField
{

2
tutorials/cfdemSolverRhoPimpleChem/3layerUnreactedCoreTest/CFD/0/rho
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@ -16,7 +16,7 @@ FoamFile
dimensions [1 -3 0 0 0 0 0];
internalField uniform 1.25;
internalField uniform 1.14; // density of CO
boundaryField
{

2
tutorials/cfdemSolverRhoPimpleChem/3layerUnreactedCoreTest/CFD/constant/couplingProperties
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@ -104,6 +104,8 @@ speciesProps
densityFieldName "rho";
partRhoName "partRho";
voidfractionFieldName "voidfraction";
totalMoleFieldName "N";
partMoleName "partN";
}
SyamlalThermCondProps

2
tutorials/cfdemSolverRhoPimpleChem/3layerUnreactedCoreTest/CFD/constant/thermophysicalProperties
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@ -32,7 +32,7 @@ foamChemistryThermoFile "$casePath/CFD/constant/foam.dat";
foamChemistryFile "$casePath/CFD/constant/foam.inp";
inertSpecie CO2; //N2;
inertSpecie N2; //CO2;
/*liquids
{

6
tutorials/cfdemSolverRhoPimpleChem/3layerUnreactedCoreTest/CFD/system/controlDict
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@ -23,13 +23,13 @@ startTime 0;
stopAt endTime;
endTime 1;
endTime 0.08;
deltaT 0.0001;
deltaT 0.000001;
writeControl adjustableRunTime;
writeInterval 0.50;
writeInterval 0.005;
purgeWrite 0;

2
tutorials/cfdemSolverRhoPimpleChem/3layerUnreactedCoreTest/DEM/in.liggghts_init
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@ -28,7 +28,7 @@ pair_style gran model hertz tangential history # Hertzian without cohesion
pair_coeff * *
# timestep, gravity
timestep 1e-6
timestep 1e-8
fix gravi all gravity 0.0 vector 0.0 -1.0 0.0
# walls

16
tutorials/cfdemSolverRhoPimpleChem/3layerUnreactedCoreTest/DEM/in.liggghts_run
View File

@ -31,7 +31,7 @@ pair_style gran model hertz tangential history # Hertzian without cohesion
pair_coeff * *
# timestep, gravity
timestep 1e-6
timestep 1e-8
fix gravi all gravity 0.0 vector 0.0 -1.0 0.0
# walls
@ -47,7 +47,7 @@ fix cfd all couple/cfd couple_every 100 mpi
fix cfd2 all couple/cfd/force
# this should invoke chemistry
fix cfd3 all couple/cfd/chemistry n_species 2 species_names CO CO2
fix cfd3 all couple/cfd/chemistry n_species 4 species_names CO CO2 O2 N2
# this should shrink the particle
#fix cfd4 all chem/shrink speciesA O2 molMassA 31.99 speciesC CO2 molMassC 44.01 molMassB 12.01 k 2.5e3 rdef 0.2
@ -66,7 +66,7 @@ fix Ea all property/global Ea_cfd5 vector 113.859 73.674 69.488
# Material properties for unreacted chemical shrink core (activate only when chem/shrink/core is active)
#fix density Ore property/global density_all vector 5.24 5.17 5.74 7.87
#fix molMass Ore property/global molMass_all vector 156 231.533 71.844 55.845
fix density all property/global density_all vector 5.24 5.17 5.74 7.87
fix density all property/global density_all vector 5240 5170 5740 7870
fix molMass all property/global molMass_all vector 156 231.533 71.844 55.845
# define layer radius
@ -84,6 +84,16 @@ compute masschange all property/atom mass
compute massreduce all reduce sum c_masschange
fix rmass all ave/time 25 1 25 c_massreduce file rmass.dat
compute layerRed1 all reduce sum f_layerRelRad[1]
fix redRad1 all ave/time 25 1 25 c_layerRed1 file relRad1.dat
compute layerRed2 all reduce sum f_layerRelRad[2]
fix redRad2 all ave/time 25 1 25 c_layerRed2 file relRad2.dat
compute layerRed3 all reduce sum f_layerRelRad[3]
fix redRad3 all ave/time 25 1 25 c_layerRed3 file relRad3.dat
# screen output
compute rke all erotate/sphere
thermo_style custom step atoms ke c_rke vol