diff --git a/tutorials/cfdemSolverRhoPimpleChem/3layerUnreactedCoreTest/CFD/0/O2 b/tutorials/cfdemSolverRhoPimpleChem/3layerUnreactedCoreTest/CFD/0/O2 index 19af6ec1..efe8467c 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/3layerUnreactedCoreTest/CFD/0/O2 +++ b/tutorials/cfdemSolverRhoPimpleChem/3layerUnreactedCoreTest/CFD/0/O2 @@ -17,7 +17,7 @@ FoamFile dimensions [0 0 0 0 0 0 0]; -internalField uniform 1; +internalField uniform 0.0; boundaryField { diff --git a/tutorials/cfdemSolverRhoPimpleChem/3layerUnreactedCoreTest/CFD/0/T b/tutorials/cfdemSolverRhoPimpleChem/3layerUnreactedCoreTest/CFD/0/T index 846017a4..b0eb6b79 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/3layerUnreactedCoreTest/CFD/0/T +++ b/tutorials/cfdemSolverRhoPimpleChem/3layerUnreactedCoreTest/CFD/0/T @@ -17,7 +17,7 @@ FoamFile dimensions [0 0 0 1 0 0 0]; -internalField uniform 293.15; +internalField uniform 1473.15; boundaryField { diff --git a/tutorials/cfdemSolverRhoPimpleChem/3layerUnreactedCoreTest/CFD/0/rho b/tutorials/cfdemSolverRhoPimpleChem/3layerUnreactedCoreTest/CFD/0/rho index d3f282ad..379d44c4 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/3layerUnreactedCoreTest/CFD/0/rho +++ b/tutorials/cfdemSolverRhoPimpleChem/3layerUnreactedCoreTest/CFD/0/rho @@ -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 { diff --git a/tutorials/cfdemSolverRhoPimpleChem/3layerUnreactedCoreTest/CFD/constant/couplingProperties b/tutorials/cfdemSolverRhoPimpleChem/3layerUnreactedCoreTest/CFD/constant/couplingProperties index 61a80cfa..72419f41 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/3layerUnreactedCoreTest/CFD/constant/couplingProperties +++ b/tutorials/cfdemSolverRhoPimpleChem/3layerUnreactedCoreTest/CFD/constant/couplingProperties @@ -104,6 +104,8 @@ speciesProps densityFieldName "rho"; partRhoName "partRho"; voidfractionFieldName "voidfraction"; + totalMoleFieldName "N"; + partMoleName "partN"; } SyamlalThermCondProps diff --git a/tutorials/cfdemSolverRhoPimpleChem/3layerUnreactedCoreTest/CFD/constant/thermophysicalProperties b/tutorials/cfdemSolverRhoPimpleChem/3layerUnreactedCoreTest/CFD/constant/thermophysicalProperties index fd23f175..84a8434b 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/3layerUnreactedCoreTest/CFD/constant/thermophysicalProperties +++ b/tutorials/cfdemSolverRhoPimpleChem/3layerUnreactedCoreTest/CFD/constant/thermophysicalProperties @@ -32,7 +32,7 @@ foamChemistryThermoFile "$casePath/CFD/constant/foam.dat"; foamChemistryFile "$casePath/CFD/constant/foam.inp"; -inertSpecie CO2; //N2; +inertSpecie N2; //CO2; /*liquids { diff --git a/tutorials/cfdemSolverRhoPimpleChem/3layerUnreactedCoreTest/CFD/system/controlDict b/tutorials/cfdemSolverRhoPimpleChem/3layerUnreactedCoreTest/CFD/system/controlDict index bed969d9..bdac934c 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/3layerUnreactedCoreTest/CFD/system/controlDict +++ b/tutorials/cfdemSolverRhoPimpleChem/3layerUnreactedCoreTest/CFD/system/controlDict @@ -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; diff --git a/tutorials/cfdemSolverRhoPimpleChem/3layerUnreactedCoreTest/DEM/in.liggghts_init b/tutorials/cfdemSolverRhoPimpleChem/3layerUnreactedCoreTest/DEM/in.liggghts_init index c8535b0c..a6e0a31a 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/3layerUnreactedCoreTest/DEM/in.liggghts_init +++ b/tutorials/cfdemSolverRhoPimpleChem/3layerUnreactedCoreTest/DEM/in.liggghts_init @@ -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 diff --git a/tutorials/cfdemSolverRhoPimpleChem/3layerUnreactedCoreTest/DEM/in.liggghts_run b/tutorials/cfdemSolverRhoPimpleChem/3layerUnreactedCoreTest/DEM/in.liggghts_run index 469a2c10..f5cb44c0 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/3layerUnreactedCoreTest/DEM/in.liggghts_run +++ b/tutorials/cfdemSolverRhoPimpleChem/3layerUnreactedCoreTest/DEM/in.liggghts_run @@ -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