zhyang-dev/CFDEMcoupling-PFM
1
0
Fork 0
mirror of https://github.com/ParticulateFlow/CFDEMcoupling-PFM.git synced 2025-12-08 06:37:44 +00:00
Code Issues Actions Packages Projects Releases Wiki Activity

updated tutorial case

Browse Source
This commit is contained in:
ekinaci
2016-11-18 13:30:35 +01:00
parent 3b352ef16a
commit 55a7d967e0
6 changed files with 79 additions and 8470 deletions
Download Patch File Download Diff File Expand all files Collapse all files

4104
tutorials/cfdemSolverRhoPimpleChem/3layerUnreactedCoreTest/CFD/rmass.dat
View File

File diff suppressed because it is too large Load Diff

166
tutorials/cfdemSolverRhoPimpleChem/3layerUnreactedCoreTest/CFD/shrink-1.dat
View File

@ -1,166 +0,0 @@
# Time-averaged data for fix shrink1
# TimeStep c_radreduce1
25 0.035
50 0.035
75 0.035
100 0.035
125 0.035
150 0.035
175 0.035
200 0.035
225 0.035
250 0.035
275 0.035
300 0.035
325 0.035
350 0.035
375 0.035
400 0.035
425 0.035
450 0.035
475 0.035
500 0.035
525 0.035
550 0.035
575 0.035
600 0.035
625 0.035
650 0.035
675 0.035
700 0.035
725 0.035
750 0.035
775 0.035
800 0.035
825 0.035
850 0.035
875 0.035
900 0.035
925 0.035
950 0.035
975 0.035
1000 0.035
1025 0.035
1050 0.035
1075 0.035
1100 0.035
1125 0.035
1150 0.035
1175 0.035
1200 0.035
1225 0.035
1250 0.035
1275 0.035
1300 0.035
1325 0.035
1350 0.035
1375 0.035
1400 0.035
1425 0.035
1450 0.035
1475 0.035
1500 0.035
1525 0.035
1550 0.035
1575 0.035
1600 0.035
1625 0.035
1650 0.035
1675 0.035
1700 0.035
1725 0.035
1750 0.035
1775 0.035
1800 0.035
1825 0.035
1850 0.035
1875 0.035
1900 0.035
1925 0.035
1950 0.035
1975 0.035
2000 0.035
2025 0.035
2050 0.035
2075 0.035
2100 0.035
2125 0.035
2150 0.035
2175 0.035
2200 0.035
2225 0.035
2250 0.035
2275 0.035
2300 0.035
2325 0.035
2350 0.035
2375 0.035
2400 0.035
2425 0.035
2450 0.035
2475 0.035
2500 0.035
2525 0.035
2550 0.035
2575 0.035
2600 0.035
2625 0.035
2650 0.035
2675 0.035
2700 0.035
2725 0.035
2750 0.035
2775 0.035
2800 0.035
2825 0.035
2850 0.035
2875 0.035
2900 0.035
2925 0.035
2950 0.035
2975 0.035
3000 0.035
3025 0.035
3050 0.035
3075 0.035
3100 0.035
3125 0.035
3150 0.035
3175 0.035
3200 0.035
3225 0.035
3250 0.035
3275 0.035
3300 0.035
3325 0.035
3350 0.035
3375 0.035
3400 0.035
3425 0.035
3450 0.035
3475 0.035
3500 0.035
3525 0.035
3550 0.035
3575 0.035
3600 0.035
3625 0.035
3650 0.035
3675 0.035
3700 0.035
3725 0.035
3750 0.035
3775 0.035
3800 0.035
3825 0.035
3850 0.035
3875 0.035
3900 0.035
3925 0.035
3950 0.035
3975 0.035
4000 0.035
4025 0.035
4050 0.035
4075 0.035
4100 0.035

4104
tutorials/cfdemSolverRhoPimpleChem/3layerUnreactedCoreTest/CFD/shrink.dat
View File

File diff suppressed because it is too large Load Diff

118
tutorials/cfdemSolverRhoPimpleChem/3layerUnreactedCoreTest/CFD/system/controlDict
View File

@ -53,7 +53,7 @@ maxDeltaT 0.1;
// ************************************************************************* //
libs (
/*libs (
"libsampling.so"
"libutilityFunctionObjects.so"
"libOpenFOAM.so"
@ -84,18 +84,18 @@ functions
);
expression "CO2*rho*Area*U";
}
CO2_Mass_in_Volume
OutletMassFlow-O2
{
type swakExpression;
valueType internalField; //patch;
//aliases{alpha alpha.water;}
//patchName outlet;
verbose true;
expression "rho*voidfraction*CO2*vol()";
accumulations ( sum );
outputControlMode timeStep; //outputTime;
outputInterval 1;
type patchExpression;
accumulations (
sum
);
patches (
outlet
);
expression "O2";
verbose true;
}
OutletMassFlow-CO2
@ -111,7 +111,41 @@ functions
verbose true;
autoInterpolate true;
}
} */
// ************************************************************************* //
/*CO2-Average1
{
type fieldAverage;
functionObjectLibs ("libfieldFunctionObjects.so");
enabled true;
outputControl outputTime;
fields
(
CO2
{
mean on;
prime2Mean on;
base time;
}
);
}
CO2_Mass_in_Volume
{
type swakExpression;
valueType internalField; //patch;
//aliases{alpha alpha.water;}
//patchName outlet;
verbose true;
expression "rho*voidfraction*CO2*vol()";
accumulations ( sum );
outputControlMode timeStep; //outputTime;
outputInterval 1;
}
CO2_Concentration_in_Volume
{
type swakExpression;
@ -137,53 +171,7 @@ functions
outputControlMode timeStep; //outputTime;
outputInterval 1;
}
O2_Concentration_in_Volume
{
type swakExpression;
valueType internalField; //patch;
//aliases{alpha alpha.water;}
//patchName outlet;
verbose true;
expression "O2";
accumulations ( sum );
outputControlMode timeStep; //outputTime;
outputInterval 1;
}
OutletMassFlow-O2
{
type patchExpression;
accumulations (
sum
);
patches (
outlet
);
expression "O2";
verbose true;
}
}
// ************************************************************************* //
/*CO2-Average1
{
type fieldAverage;
functionObjectLibs ("libfieldFunctionObjects.so");
enabled true;
outputControl outputTime;
fields
(
CO2
{
mean on;
prime2Mean on;
base time;
}
);
}
species_CO2 // Name also used to identify output folder
{
type cellSource;
@ -202,6 +190,20 @@ functions
);
}
O2_Concentration_in_Volume
{
type swakExpression;
valueType internalField; //patch;
//aliases{alpha alpha.water;}
//patchName outlet;
verbose true;
expression "O2";
accumulations ( sum );
outputControlMode timeStep; //outputTime;
outputInterval 1;
}
O2-Average1
{
type fieldAverage;

22
tutorials/cfdemSolverRhoPimpleChem/3layerUnreactedCoreTest/DEM/in.liggghts_init
View File

@ -23,12 +23,6 @@ fix m2 all property/global poissonsRatio peratomtype 0.45
fix m3 all property/global coefficientRestitution peratomtypepair 1 0.3
fix m4 all property/global coefficientFriction peratomtypepair 1 0.5
# chemical reaction with 3 layer unreacted shrinking core
#fix OreReductionCO all chem/shrink/core speciesA O2 molMassA 31.99 speciesC CO2 molMassC 44.01
# Material chemical properties required for chemical shrink style
#fix k0_OreReductionCO all property/global k0_OreReductionCO vector 1.0 1.0 1.0 #or atomtype
#fix Ea_OreReductionCO all property/global Ea_ vector 0.5 0.5 0.5 #or ""
# pair style
pair_style gran model hertz tangential history # Hertzian without cohesion
pair_coeff * *
@ -45,22 +39,20 @@ fix ywalls2 all wall/gran model hertz tangential history primitive type 1 yp
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
#create_atoms 1 random 2 1 NULL
#set atom * diameter 0.07 density 2267 vx 0 vy 0 vz 0
# create single particle in a specific spot
create_atoms 1 single 0.75 .31 0.31 units box
set atom 1 diameter 0.07 density 2267 vx 0 vy 0 vz 0
set atom 1 diameter 0.07 density 2267 vx 0 vy 0 vz 0
group Ore id 1
# particle distributions and insertion
#region bc block 0.5 0.75 0.15 0.25 0.15 0.25 units box
#fix pts1 all particletemplate/sphere 1 atom_type 1 density constant 2267 radius constant 0.035
#fix pdd1 all particledistribution/discrete 1 1 pts1 1.0
# region bc block 0.5 0.75 0.15 0.25 0.15 0.25 units box
# fix pts1 all particletemplate/sphere 1 atom_type 1 density constant 2267 radius constant 0.035
# 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
# fix integr all nve/sphere
# screen output
compute rke all erotate/sphere

35
tutorials/cfdemSolverRhoPimpleChem/3layerUnreactedCoreTest/DEM/in.liggghts_run
View File

@ -18,9 +18,7 @@ read_restart ../DEM/post/restart/liggghts.restart
neighbor 0.0005 bin
neigh_modify delay 0 binsize 0.01 ##0.01
# Material properties required for granular pair styles
fix m1 all property/global youngsModulus peratomtype 5.e6
fix m2 all property/global poissonsRatio peratomtype 0.45
fix m3 all property/global coefficientRestitution peratomtypepair 1 0.3
@ -49,36 +47,27 @@ fix cfd2 all couple/cfd/force
# this should invoke chemistry
fix cfd3 all couple/cfd/chemistry n_species 2 species_names O2 CO2
# this should shrink the particle
# Activate for shrinking particle model
#fix cfd4 all chem/shrink speciesA O2 molMassA 31.99 speciesC CO2 molMassC 44.01 molMassB 12.01 k 2.5e3 rdef hertzpct 0.2
#fix cfd4 all chem/shrink speciesA O2 molMassA 31.99 speciesC CO2 molMassC 44.01 molMassB 12.01 k 7.60e5 rmin 0.005
#fix cfd4 all chem/shrink speciesA O2 molMassA 31.99 speciesC CO2 molMassC 44.01 molMassB 12.01 k 7.60e5 rmin 0.005
# chemical reaction with 3 layer unreacted shrinking core
fix OreReductionCO all chem/shrink/core speciesA O2 molMassA 31.99 speciesC CO2 molMassC 44.01
# Chemical properties for unreacted shrink core
# Activate for 3-layer unreacted core shrink model
fix OreReductionCO Ore chem/shrink/core speciesA O2 molMassA 31.99 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
# Material properties for unreacted chemical shrink core
#fix density all property/global density_all vector 5.24 5.17 5.74 7.87
#fix molMass all property/global molMass_all vector 156 231.533 71.844 55.845
# Material properties for unreacted chemical shrink core (activate only when chem/shrink/core is active)
fix density Ore property/global density_Ore vector 5.24 5.17 5.74 7.87
fix molMass Ore property/global molMass_Ore vector 156 231.533 71.844 55.845
# define layer radius
#fix layerRelRad all property/atom layerradii vector yes no no 0. 0. 0. 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 1 1 1 c_radreduce file shrink.dat
compute radChange1 all property/atom radius
compute radreduce1 all reduce max c_radChange1
fix shrink1 all ave/time 25 1 25 c_radreduce1 file shrink-1.dat
compute masschange all property/atom mass
compute massreduce all reduce sum c_masschange
fix rmass all ave/time 1 1 1 c_massreduce file rmass.dat
# screen output
compute rke all erotate/sphere
thermo_style custom step atoms ke c_rke vol