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update tutorial case

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This commit is contained in:
ekinaci
2017-05-23 09:49:22 +02:00
parent e745512252
commit 04119c6934
4 changed files with 35 additions and 20 deletions
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21
tutorials/cfdemSolverRhoPimpleChem/test_case/Allrun.sh
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@ -6,10 +6,20 @@
# Christoph Goniva - Sept. 2010
#===================================================================#
#- source CFDEM env vars
. ~/.bashrc
#- include functions
source $CFDEM_SRC_DIR/lagrangian/cfdemParticle/etc/functions.sh
#- define variables
casePath="$(dirname "$(readlink -f ${BASH_SOURCE[0]})")"
export casePath
headerText="test_case"
logfileName="$casePath/log_$headerText"
solverName="cfdemSolverRhoPimpleChem"
nrProcs="4"
export casePath
# check if mesh was built
if [ -f "$casePath/CFD/constant/polyMesh/points" ]; then
echo "mesh was built before - using old mesh"
@ -26,6 +36,11 @@ else
$casePath/parDEMrun.sh
fi
#echo "Run Simulation"
#cd $casePath/CFD
#decomposePar
#mpirun -np $nrProcs $solverName -parallel | tee -a $logfileName
#- run parallel CFD-DEM in new terminal
gnome-terminal -e "bash $casePath/parCFDDEMrun.sh"
#bash $casePath/parCFDDEMrun.sh
#gnome-terminal -e "bash $casePath/parCFDDEMrun.sh"
bash $casePath/parCFDDEMrun.sh

4
tutorials/cfdemSolverRhoPimpleChem/test_case/CFD/system/controlDict
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@ -23,13 +23,13 @@ startTime 0;
stopAt endTime;
endTime 0.5;
endTime 3;
deltaT 0.0001;
writeControl adjustableRunTime; // timeStep; // //runTime;//
writeInterval 0.05;
writeInterval 0.5;
purgeWrite 0;

22
tutorials/cfdemSolverRhoPimpleChem/test_case/DEM/in.liggghts_run
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@ -60,19 +60,19 @@ 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 17 25 2700
fix Ea all property/global Ea_cfd5 vector 69488 73674 113859
# particle porosities adn tortuosity
fix porosity all property/global porosity_ scalar 0.15
fix tortuosity all property/global tortuosity_ scalar 3
fix pore_diameter all property/global pore_diameter_ scalar 3.91e-6
# 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 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 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
@ -82,7 +82,7 @@ fix integr all nve/sphere
## DEBUG ##
compute masschange all property/atom mass
compute massreduce all reduce sum c_masschange
fix rmass all ave/time 1 1 25 c_massreduce file rmass.dat
fix rmass all ave/time 100 1 100 c_massreduce file rmass.dat
compute layerRad1 all reduce sum f_layerRelRad[1]
fix redRad1 all ave/time 100 1 100 c_layerRad1 file relRad1.dat
@ -99,19 +99,19 @@ fix redRad4 all ave/time 100 1 100 c_layerRad4 file relRad4.dat
variable rad_fe atom "f_layerRelRad[1]*radius"
compute r_fe all reduce sum v_rad_fe
fix r_fe1 all ave/time 25 1 25 c_r_fe file rfe.dat
fix r_fe1 all ave/time 100 1 100 c_r_fe file rfe.dat
variable rad_w atom "f_layerRelRad[2]*radius"
compute r_w all reduce sum v_rad_w
fix r_w1 all ave/time 25 1 25 c_r_w file rw.dat
fix r_w1 all ave/time 100 1 100 c_r_w file rw.dat
variable rad_m atom "f_layerRelRad[3]*radius"
compute r_m all reduce sum v_rad_m
fix r_m1 all ave/time 25 1 25 c_r_m file rm.dat
fix r_m1 all ave/time 100 1 100 c_r_m file rm.dat
variable rad_h atom "f_layerRelRad[4]*radius"
compute r_h all reduce sum v_rad_h
fix r_h1 all ave/time 25 1 25 c_r_h file rh.dat
fix r_h1 all ave/time 100 1 100 c_r_h file rh.dat
###############################################
# screen output
@ -121,6 +121,6 @@ thermo 1000
thermo_modify lost ignore norm no
compute_modify thermo_temp dynamic yes
dump dmp all custom 100 ../DEM/post/dump.liggghts_run id type x y z ix iy iz vx vy vz fx fy fz omegax omegay omegaz radius
dump dmp all custom 10000 ../DEM/post/dump.liggghts_run id type x y z ix iy iz vx vy vz fx fy fz omegax omegay omegaz radius
run 1

8
tutorials/cfdemSolverRhoPimpleChem/test_case/postproc.sh
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@ -1,9 +1,9 @@
#!/bin/bash
grep "dmB\[0]" log_3layerUnreactedShrinkingCore > dmB0.dat
grep "dmB\[1]" log_3layerUnreactedShrinkingCore > dmB1.dat
grep "dmB\[2]" log_3layerUnreactedShrinkingCore > dmB2.dat
grep "dmB\[3]" log_3layerUnreactedShrinkingCore > dmB3.dat
grep "dmB\[0]" log_test_case > dmB0.dat
grep "dmB\[1]" log_test_case > dmB1.dat
grep "dmB\[2]" log_test_case > dmB2.dat
grep "dmB\[3]" log_test_case > dmB3.dat
#grep -n "pre-layerMass[0]:" log_3layerUnreactedShrinkingCore > pre_particle_mass0.dat
#grep -n "pre-layerMass[1]:" log_3layerUnreactedShrinkingCore > pre_particle_mass1.dat
#grep -n "pre-layerMass[2]:" log_3layerUnreactedShrinkingCore > pre_particle_mass2.dat