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working tutorial case for 3 layer shrink - only chem resist active

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This commit is contained in:
ekinaci
2017-03-27 10:51:51 +02:00
parent f84018214c
commit 50bb355dbb
9 changed files with 138 additions and 72 deletions
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1
tutorials/cfdemSolverRhoPimpleChem/3layerUnreactedCoreTest/Allclean
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@ -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

50
tutorials/cfdemSolverRhoPimpleChem/3layerUnreactedCoreTest/CFD/0/N Normal file
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@ -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;
}
}
// ************************************************************************* //

51
tutorials/cfdemSolverRhoPimpleChem/3layerUnreactedCoreTest/CFD/0/N2 Normal file
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@ -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;
}
}
// ************************************************************************* //

4
tutorials/cfdemSolverRhoPimpleChem/3layerUnreactedCoreTest/CFD/constant/couplingProperties
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@ -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

16
tutorials/cfdemSolverRhoPimpleChem/3layerUnreactedCoreTest/CFD/constant/polyMesh/blockMeshDict
View File

@ -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

2
tutorials/cfdemSolverRhoPimpleChem/3layerUnreactedCoreTest/CFD/system/controlDict
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@ -23,7 +23,7 @@ startTime 0;
stopAt endTime;
endTime 0.08;
endTime 0.8;
deltaT 0.000001;

22
tutorials/cfdemSolverRhoPimpleChem/3layerUnreactedCoreTest/DEM/in.liggghts_init
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@ -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

15
tutorials/cfdemSolverRhoPimpleChem/3layerUnreactedCoreTest/DEM/in.liggghts_run
View File

@ -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

49
tutorials/cfdemSolverRhoPimpleChem/3layerUnreactedCoreTest/postproc.sh
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@ -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