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shrinking tutorial case

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This commit is contained in:
ekinaci
2016-07-27 14:38:17 +02:00
parent 30a057a87c
commit b49a013474
5 changed files with 21 additions and 8 deletions
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4
tutorials/cfdemSolverRhoPimpleChem/Particle_in_Duct/CFD/constant/foam.dat
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@ -61,7 +61,7 @@ O2
}
// added CO - Thermo data from combustion.berkeley.edu/gri-mech/data/species/thermo.dat
CO
/*CO
{
specie
{
@ -81,7 +81,7 @@ CO
As 1.67212e-06;
Ts 170.672;
}
}
}*/

1
tutorials/cfdemSolverRhoPimpleChem/Particle_in_Duct/CFD/constant/foam.inp
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@ -1,7 +1,6 @@
species
(
O2
CO
CO2
);

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

10
tutorials/cfdemSolverRhoPimpleChem/Particle_in_Duct/DEM/in.liggghts_init
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@ -40,8 +40,8 @@ fix zwalls1 all wall/gran model hertz tangential history primitive type 1 zp
fix zwalls2 all wall/gran model hertz tangential history primitive type 1 zplane 0.5
# create single particle in a specific spot
create_atoms 1 single .75 .25 0.25 units box
set atom 1 diameter 0.01 density 2267 vx 0 vy 0 vz 0
create_atoms 1 single .75 .31 0.31 units box
set atom 1 diameter 0.07 density 2267 vx 0 vy 0 vz 0
# particle distributions and insertion
@ -54,6 +54,12 @@ set atom 1 diameter 0.01 density 2267 vx 0 vy 0 vz 0
# 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 100 1 100 c_radreduce file output.radius
# screen output
compute rke all erotate/sphere
thermo_style custom step atoms ke c_rke vol

12
tutorials/cfdemSolverRhoPimpleChem/Particle_in_Duct/DEM/in.liggghts_run
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@ -47,14 +47,22 @@ fix cfd all couple/cfd couple_every 1 mpi
fix cfd2 all couple/cfd/force
# this should invoke chemistry
fix cfd3 all couple/cfd/chemistry n_species 3 species_names O2 CO CO2
fix cfd3 all couple/cfd/chemistry n_species 2 species_names O2 CO2
# this should shrink the particle
fix cfd4 all chem/shrink speciesA O2 molMassA +31.99 speciesC CO2 molMassC 44.01 molMassB 12.01 k 2.5e-7
fix cfd4 all chem/shrink speciesA O2 molMassA +31.99 speciesC CO2 molMassC 44.01 molMassB 12.01 k 2.5e-2
# 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 50 1 50 c_radreduce file shrink.dat
#compute radChange reduce sum c_radius
# screen output
compute rke all erotate/sphere
thermo_style custom step atoms ke c_rke vol