diff --git a/tutorials/cfdemSolverRhoPimpleChem/3layerUnreactedCoreTest/CFD/constant/couplingProperties b/tutorials/cfdemSolverRhoPimpleChem/3layerUnreactedCoreTest/CFD/constant/couplingProperties index da485550..4f442629 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/3layerUnreactedCoreTest/CFD/constant/couplingProperties +++ b/tutorials/cfdemSolverRhoPimpleChem/3layerUnreactedCoreTest/CFD/constant/couplingProperties @@ -31,7 +31,7 @@ FoamFile modelType "A"; // A or B -couplingInterval 1;//1000; +couplingInterval 100;//1000; voidFractionModel divided;//centre;// diff --git a/tutorials/cfdemSolverRhoPimpleChem/3layerUnreactedCoreTest/CFD/system/controlDict b/tutorials/cfdemSolverRhoPimpleChem/3layerUnreactedCoreTest/CFD/system/controlDict index e30be47d..ff0fbcd9 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/3layerUnreactedCoreTest/CFD/system/controlDict +++ b/tutorials/cfdemSolverRhoPimpleChem/3layerUnreactedCoreTest/CFD/system/controlDict @@ -23,13 +23,13 @@ startTime 0; stopAt endTime; -endTime 0.8; +endTime 3.0; -deltaT 0.000001; +deltaT 0.0001; writeControl adjustableRunTime; -writeInterval 0.005; +writeInterval 0.5; purgeWrite 0; diff --git a/tutorials/cfdemSolverRhoPimpleChem/3layerUnreactedCoreTest/DEM/in.liggghts_run b/tutorials/cfdemSolverRhoPimpleChem/3layerUnreactedCoreTest/DEM/in.liggghts_run index 0ef66316..73915414 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/3layerUnreactedCoreTest/DEM/in.liggghts_run +++ b/tutorials/cfdemSolverRhoPimpleChem/3layerUnreactedCoreTest/DEM/in.liggghts_run @@ -58,15 +58,20 @@ fix cfd3 all couple/cfd/chemistry n_species 4 species_names CO CO2 O2 N2 fix cfd5 all chem/shrink/core speciesA CO molMassA 28.01 speciesC CO2 molMassC 44.01 # Chemical properties for unreacted shrink core (activate only when chem/shrink/core is active) -fix k0 all property/global k0_cfd5 vector 2700 25 17 -fix Ea all property/global Ea_cfd5 vector 113859 73674 69488 +#fix k0 all property/global k0_cfd5 vector 2700 25 17 +#fix Ea all property/global Ea_cfd5 vector 113859 73674 69488 +fix k0 all property/global k0_cfd5 vector 17 25 2700 +fix Ea all property/global Ea_cfd5 vector 69488 73674 113859 # Material properties for unreacted chemical shrink core (activate only when chem/shrink/core is active) -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 +#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 +fix density all property/global density_all vector 7870 5740 5170 5240 +fix molMass all property/global molMass_all vector 55.845 71.844 231.533 156 # define layer radius -fix layerRelRad all property/atom relRadii vector yes no no 0.3 0.5 0.6 +#fix layerRelRad all property/atom relRadii vector yes no no 0.3 0.5 0.6 1.0 +fix layerRelRad all property/atom relRadii vector yes no no 1.0 0.6 0.5 0.3 # apply nve integration to all particles that are inserted as single particles fix integr all nve/sphere @@ -75,14 +80,14 @@ 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 layerRed1 all reduce sum f_layerRelRad[2] +fix redRad1 all ave/time 25 1 25 c_layerRed1 file relRad2.dat -compute layerRed2 all reduce sum f_layerRelRad[2] -fix redRad2 all ave/time 25 1 25 c_layerRed2 file relRad2.dat +compute layerRed2 all reduce sum f_layerRelRad[3] +fix redRad2 all ave/time 25 1 25 c_layerRed2 file relRad3.dat -compute layerRed3 all reduce sum f_layerRelRad[3] -fix redRad3 all ave/time 25 1 25 c_layerRed3 file relRad3.dat +compute layerRed3 all reduce sum f_layerRelRad[4] +fix redRad3 all ave/time 25 1 25 c_layerRed3 file relRad4.dat # screen output