diff --git a/tutorials/cfdemSolverRhoPimpleChem/3layerUnreactedCoreTest/Allclean b/tutorials/cfdemSolverRhoPimpleChem/3layerUnreactedCoreTest/Allclean index cc7ab3c4..3b816b38 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/3layerUnreactedCoreTest/Allclean +++ b/tutorials/cfdemSolverRhoPimpleChem/3layerUnreactedCoreTest/Allclean @@ -11,6 +11,7 @@ cd $casePath/CFD cleanCase rm $casePath/CFD/shrink*.dat rm $casePath/CFD/rmass*.dat +rm $casePath/CFD/rel*.dat rm $casePath/log* #rm $casePath/run_error.log #cp -R 0/Org/p 0/p diff --git a/tutorials/cfdemSolverRhoPimpleChem/3layerUnreactedCoreTest/CFD/0/N b/tutorials/cfdemSolverRhoPimpleChem/3layerUnreactedCoreTest/CFD/0/N new file mode 100644 index 00000000..185a7387 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/3layerUnreactedCoreTest/CFD/0/N @@ -0,0 +1,50 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 1.6 | +| \\ / A nd | Web: http://www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + object N; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [1 -3 0 0 0 0 0]; + +internalField uniform 0; + +boundaryField +{ + top + { + type zeroGradient; + } + + bottom + { + type zeroGradient; + } + + side-walls + { + type zeroGradient; + } + + inlet + { + type zeroGradient; + } + + outlet + { + type zeroGradient; + } +} + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/3layerUnreactedCoreTest/CFD/0/N2 b/tutorials/cfdemSolverRhoPimpleChem/3layerUnreactedCoreTest/CFD/0/N2 new file mode 100644 index 00000000..2a99a227 --- /dev/null +++ b/tutorials/cfdemSolverRhoPimpleChem/3layerUnreactedCoreTest/CFD/0/N2 @@ -0,0 +1,51 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox | +| \\ / O peration | Version: 2.3.0 | +| \\ / A nd | Web: www.OpenFOAM.org | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class volScalarField; + location "0"; + object N2; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + +dimensions [0 0 0 0 0 0 0]; + +internalField uniform 0.0; + +boundaryField +{ + top + { + type zeroGradient; + } + + bottom + { + type zeroGradient; + } + + side-walls + { + type zeroGradient; + } + + inlet + { + type zeroGradient; + } + + outlet + { + type zeroGradient; + } +} + + +// ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/3layerUnreactedCoreTest/CFD/constant/couplingProperties b/tutorials/cfdemSolverRhoPimpleChem/3layerUnreactedCoreTest/CFD/constant/couplingProperties index 72419f41..da485550 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 100;//1000; +couplingInterval 1;//1000; voidFractionModel divided;//centre;// @@ -106,6 +106,8 @@ speciesProps voidfractionFieldName "voidfraction"; totalMoleFieldName "N"; partMoleName "partN"; + pressureFieldName "p"; + partPName "partP"; } SyamlalThermCondProps diff --git a/tutorials/cfdemSolverRhoPimpleChem/3layerUnreactedCoreTest/CFD/constant/polyMesh/blockMeshDict b/tutorials/cfdemSolverRhoPimpleChem/3layerUnreactedCoreTest/CFD/constant/polyMesh/blockMeshDict index a0033133..45851e7b 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/3layerUnreactedCoreTest/CFD/constant/polyMesh/blockMeshDict +++ b/tutorials/cfdemSolverRhoPimpleChem/3layerUnreactedCoreTest/CFD/constant/polyMesh/blockMeshDict @@ -19,14 +19,14 @@ convertToMeters 1.0; vertices ( - (0 0 0) - (1.5 0 0) - (1.5 0.5 0) - (0 0.5 0) - (0 0 0.5) - (1.5 0 0.5) - (1.5 0.5 0.5) - (0 0.5 0.5) + (0 0 0) + (15 0 0) + (15 5 0) + (0 5 0) + (0 0 5) + (15 0 5) + (15 5 5) + (0 5 5) ); blocks diff --git a/tutorials/cfdemSolverRhoPimpleChem/3layerUnreactedCoreTest/CFD/system/controlDict b/tutorials/cfdemSolverRhoPimpleChem/3layerUnreactedCoreTest/CFD/system/controlDict index bdac934c..e30be47d 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/3layerUnreactedCoreTest/CFD/system/controlDict +++ b/tutorials/cfdemSolverRhoPimpleChem/3layerUnreactedCoreTest/CFD/system/controlDict @@ -23,7 +23,7 @@ startTime 0; stopAt endTime; -endTime 0.08; +endTime 0.8; deltaT 0.000001; diff --git a/tutorials/cfdemSolverRhoPimpleChem/3layerUnreactedCoreTest/DEM/in.liggghts_init b/tutorials/cfdemSolverRhoPimpleChem/3layerUnreactedCoreTest/DEM/in.liggghts_init index a6e0a31a..b101d4c4 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/3layerUnreactedCoreTest/DEM/in.liggghts_init +++ b/tutorials/cfdemSolverRhoPimpleChem/3layerUnreactedCoreTest/DEM/in.liggghts_init @@ -11,7 +11,7 @@ newton off units si processors 2 2 1 -region reg block 0. 1.5 0. 0.5 0. 0.5 units box +region reg block 0. 15 0. 5 0. 5 units box create_box 1 reg neighbor 0.0005 bin @@ -28,27 +28,27 @@ pair_style gran model hertz tangential history # Hertzian without cohesion pair_coeff * * # timestep, gravity -timestep 1e-8 +timestep 0.000001 fix gravi all gravity 0.0 vector 0.0 -1.0 0.0 # walls fix xwalls1 all wall/gran model hertz tangential history primitive type 1 xplane 0.0 -fix xwalls2 all wall/gran model hertz tangential history primitive type 1 xplane 1.5 +fix xwalls2 all wall/gran model hertz tangential history primitive type 1 xplane 15 fix ywalls1 all wall/gran model hertz tangential history primitive type 1 yplane 0.0 -fix ywalls2 all wall/gran model hertz tangential history primitive type 1 yplane 0.5 +fix ywalls2 all wall/gran model hertz tangential history primitive type 1 yplane 5 fix zwalls1 all wall/gran model hertz tangential history primitive type 1 zplane 0.0 -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 5 # create single particle in a specific spot -#create_atoms 1 single 0.25 .25 0.25 units box -#set atom 1 diameter 0.07 density 2267 vx 0 vy 0 vz 0 +create_atoms 1 single 7.5 2 2 units box +set atom 1 diameter 0.2 density 2267 vx 0 vy 0 vz 0 # particle distributions and insertion -region bc block 0.25 1.25 0. 0.5 0. 0.5 units box -fix pts1 all particletemplate/sphere 1 atom_type 1 density constant 2267 radius constant 0.07 -fix pdd1 all particledistribution/discrete 1 1 pts1 1.0 +#region bc block 0.25 1.25 0. 0.5 0. 0.5 units box +#fix pts1 all particletemplate/sphere 1 atom_type 1 density constant 2267 radius constant 0.02 +#fix pdd1 all particledistribution/discrete 1 1 pts1 1.0 -fix ins all insert/pack seed 100001 distributiontemplate pdd1 vel constant 0. 0. 0. insert_every once overlapcheck yes all_in yes particles_in_region 1 region bc +#fix ins all insert/pack seed 100001 distributiontemplate pdd1 vel constant 0. 0. 0. insert_every once overlapcheck yes all_in yes particles_in_region 1 region bc # apply nve integration to all particles that are inserted as single particles #fix integr all nve/sphere diff --git a/tutorials/cfdemSolverRhoPimpleChem/3layerUnreactedCoreTest/DEM/in.liggghts_run b/tutorials/cfdemSolverRhoPimpleChem/3layerUnreactedCoreTest/DEM/in.liggghts_run index f5cb44c0..0ef66316 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-8 +timestep 0.000001 fix gravi all gravity 0.0 vector 0.0 -1.0 0.0 # walls @@ -55,17 +55,13 @@ fix cfd3 all couple/cfd/chemistry n_species 4 species_names CO CO2 O2 N2 # Activate for 3-layer unreacted core shrink model #fix OreReductionCO all chem/shrink/core speciesA O2 molMassA 31.99 speciesC CO2 molMassC 44.01 -fix cfd5 all chem/shrink/core speciesA CO molMassA 28.01 speciesC CO2 molMassC 44.01 +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_OreReductionCO vector 2700 25 17 -#fix Ea all property/global Ea_OreReductionCO vector 113.859 73.674 69.488 fix k0 all property/global k0_cfd5 vector 2700 25 17 -fix Ea all property/global Ea_cfd5 vector 113.859 73.674 69.488 +fix Ea all property/global Ea_cfd5 vector 113859 73674 69488 # 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 5240 5170 5740 7870 fix molMass all property/global molMass_all vector 156 231.533 71.844 55.845 @@ -75,11 +71,6 @@ fix layerRelRad all property/atom relRadii vector yes no no 0.3 0.5 0.6 # apply nve integration to all particles that are inserted as single particles fix integr all nve/sphere -# print radius change according to timestep -compute radChange all property/atom radius -compute radreduce all reduce sum c_radChange -fix shrink all ave/time 25 1 25 c_radreduce file shrink.dat - 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 diff --git a/tutorials/cfdemSolverRhoPimpleChem/3layerUnreactedCoreTest/postproc.sh b/tutorials/cfdemSolverRhoPimpleChem/3layerUnreactedCoreTest/postproc.sh index f9ed42ba..5ce1f67a 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/3layerUnreactedCoreTest/postproc.sh +++ b/tutorials/cfdemSolverRhoPimpleChem/3layerUnreactedCoreTest/postproc.sh @@ -1,43 +1,14 @@ #!/bin/bash -grep -n "Co2 Mass" log_Particle_in_Duct > CO2concentration-output -sed -r 's/.{12}//' CO2concentration-output > changeOfCO2 -rm CO2concentration-output -sed -r 's/^s //' changeOfCO2 > changeOfCO2-2 -rm changeOfCO2 -sed -r 's/^ss //' changeOfCO2-2 > changeOfCO2-3 -rm changeOfCO2-2 -sed -r 's/^ass //' changeOfCO2-3 > changeOfCO2 -rm changeOfCO2-3 - - -grep -n "O2 Mass" log_Particle_in_Duct > O2concentration-file -sed -r 's/.{12}//' O2concentration-file > O2_file_2 -rm O2concentration-file -sed -r 's/^s //' O2_file_2 > O2_output -rm O2_file_2 -sed -r 's/^ss //' O2_output > O2_output_2 -rm O2_output -sed -r 's/^ass //' O2_output_2 > changeOfO2 -rm O2_output_2 - - -grep -n "Gas Density" log_Particle_in_Duct > rhogas_file -sed -r 's/.{16}//' rhogas_file > rhogas_file_2 -rm rhogas_file -sed -r 's/^y //' rhogas_file_2 > rhogas_output -rm rhogas_file_2 -sed -r 's/^ty //' rhogas_output > rhogas_ -rm rhogas_output - -grep -n "Particle Mass" log_Particle_in_Duct > pmass_file -sed -r 's/.{18}//' pmass_file > pmass_file_2 -rm pmass_file -sed -r 's/^s //' pmass_file_2 > pmass_file_3 -rm pmass_file_2 -sed -r 's/^ss //' pmass_file_3 > pmass_file_4 -rm pmass_file_3 -sed -r 's/^ass //' pmass_file_4 > pmass_ -rm pmass_file_4 +grep -n "x0_:" log_Particle_in_Duct > x0_values +grep -n "check N" log_Particle_in_Duct > total_mole +grep -n "check mass frac" log_Particle_in_Duct > mass_frac +grep -n "dY_" log_Particle_in_Duct > delta_reduction_rate +grep -n "dmA_" log_Particle_in_Duct > layer_mass_transfer +grep -n "dens_" log_Particle_in_Duct > layer_Densities +grep -n "pre-particle density" log_Particle_in_Duct > total_particle_density +grep -n "pre-particle mass" log_Particle_in_Duct > pre_particle_mass +grep -n "post-particle mass" log_Particle_in_Duct > post_particle_mass +grep -n "post redox radius of" log_Particle_in_Duct > post_particle_radius