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adjust particle properties in R2_FB case

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danielque
2023-02-09 14:51:07 +01:00
parent 69234a1451
commit d227090570
2 changed files with 27 additions and 24 deletions
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21
tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/DEM/in.liggghts_init
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@ -8,7 +8,8 @@
# copyright: 2022- JKU Linz # # copyright: 2022- JKU Linz #
################################################################################ ################################################################################
coarsegraining 7.0 model_check error variable cg equal 7.0
coarsegraining ${cg} model_check error
atom_style granular atom_style granular
atom_modify map array atom_modify map array
@ -25,7 +26,7 @@ create_box 2 reg
neighbor 1e-4 bin neighbor 1e-4 bin
neigh_modify delay 0 neigh_modify delay 0
# Material properties required for granular pair styles # material properties for granular pair styles
fix m1 all property/global youngsModulus peratomtype 5.e6 5.e6 fix m1 all property/global youngsModulus peratomtype 5.e6 5.e6
fix m2 all property/global poissonsRatio peratomtype 0.45 0.45 fix m2 all property/global poissonsRatio peratomtype 0.45 0.45
fix m3 all property/global coefficientRestitution peratomtypepair 2 0.3 0.3 0.3 0.3 fix m3 all property/global coefficientRestitution peratomtypepair 2 0.3 0.3 0.3 0.3
@ -44,27 +45,29 @@ fix zwalls1 all wall/gran model hertz tangential history primitive type 1 y
fix zwalls2 all wall/gran model hertz tangential history primitive type 1 yplane 0.15 fix zwalls2 all wall/gran model hertz tangential history primitive type 1 yplane 0.15
fix cylwalls all wall/gran model hertz tangential history primitive type 1 ycylinder 0.034 0. 0. fix cylwalls all wall/gran model hertz tangential history primitive type 1 ycylinder 0.034 0. 0.
# particle distributions and insertion # region for particle insertion
region insreg1 cylinder y 0.0 0.0 0.034 0.00 0.15 units box region insreg1 cylinder y 0.0 0.0 0.034 0.00 0.15 units box
# particle templates and distributions
# iron-ore range # iron-ore range
fix pts1 all particletemplate/sphere 51 atom_type 1 density constant 4300 radius constant 6.25e-05 fix pts1 all particletemplate/sphere 51 atom_type 1 density constant 4300 radius constant 0.000060
fix pts2 all particletemplate/sphere 41 atom_type 1 density constant 4300 radius constant 0.000125 fix pts2 all particletemplate/sphere 41 atom_type 1 density constant 4300 radius constant 0.000105
fix pts3 all particletemplate/sphere 31 atom_type 1 density constant 4300 radius constant 0.000188 fix pts3 all particletemplate/sphere 31 atom_type 1 density constant 4300 radius constant 0.000188
fix pts4 all particletemplate/sphere 21 atom_type 1 density constant 4300 radius constant 0.000375 fix pts4 all particletemplate/sphere 21 atom_type 1 density constant 4300 radius constant 0.000375
fix pdd1 all particledistribution/discrete 1 4 pts1 0.154 pts2 0.332 pts3 0.286 pts4 0.228 fix pdd1 all particledistribution/discrete 74671 4 pts1 0.154 pts2 0.332 pts3 0.286 pts4 0.228
# quartz particles # quartz particles
fix pts5 all particletemplate/sphere 61 atom_type 2 density constant 2630 radius constant 0.00025 fix pts5 all particletemplate/sphere 61 atom_type 2 density constant 2630 radius constant 0.000250
fix pdd2 all particledistribution/discrete 1 1 pts5 1.0 fix pdd2 all particledistribution/discrete 1 1 pts5 1.0
fix ts_check all check/timestep/gran 10 0.1 0.1 fix ts_check all check/timestep/gran 10 0.1 0.1
# apply nve integration to all particles that are inserted as single particles # apply nve integration to all particles
fix integr all nve/sphere fix integr all nve/sphere
# make groups # create groups
group ore type 1 group ore type 1
group quartz type 2 group quartz type 2

30
tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/DEM/in.liggghts_run
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@ -39,7 +39,7 @@ fix m3 all property/global coefficientRestitution peratomtypepair 2 0.3
fix m4 all property/global coefficientFriction peratomtypepair 2 0.5 0.5 0.5 0.5 fix m4 all property/global coefficientFriction peratomtypepair 2 0.5 0.5 0.5 0.5
# pair style # pair style
pair_style gran model hertz tangential history # Hertzian without cohesion pair_style gran model hertz tangential history
pair_coeff * * pair_coeff * *
# timestep, gravity # timestep, gravity
@ -47,17 +47,17 @@ timestep 0.000005
fix gravi all gravity 9.81 vector 0.0 -1.0 0.0 fix gravi all gravity 9.81 vector 0.0 -1.0 0.0
# walls # walls
fix zwalls1 all wall/gran model hertz tangential history primitive type 1 yplane 0.000 fix zwalls1 all wall/gran model hertz tangential history primitive type 1 yplane 0.00
fix zwalls2 all wall/gran model hertz tangential history primitive type 1 yplane 0.15 fix zwalls2 all wall/gran model hertz tangential history primitive type 1 yplane 0.15
fix cylwalls all wall/gran model hertz tangential history primitive type 1 ycylinder 0.034 0. 0. fix cylwalls all wall/gran model hertz tangential history primitive type 1 ycylinder 0.034 0.0 0.0
# Thermal properties # thermal properties
fix ftco all property/global thermalConductivity peratomtype 1.4 1.4 fix ftco all property/global thermalConductivity peratomtype 1.4 3.0 # [W/(K*m)]
fix ftca all property/global thermalCapacity peratomtype 3000 5000 fix ftca all property/global thermalCapacity peratomtype 1000 800 # [J/(kg*K)]
fix integr all nve/sphere fix integr all nve/sphere
# re-make groups # re-create groups
group ore type 1 group ore type 1
group quartz type 2 group quartz type 2
@ -78,19 +78,19 @@ fix cfd6 ore chem/shrink/core speciesA H2 molMassA 0.00202 speciesC H2O molM
# material properties for chemical reaction # material properties for chemical reaction
fix k0_CO ore property/global k0_cfd5 vector 17 25 2700 fix k0_CO ore property/global k0_cfd5 vector 17 25 2700
fix Ea_CO ore property/global Ea_cfd5 vector 69488 95000 130940 fix Ea_CO ore property/global Ea_cfd5 vector 100000 73674 113859
fix k0_H2 ore property/global k0_cfd6 vector 30 23 160 fix k0_H2 ore property/global k0_cfd6 vector 17 23 160
fix Ea_H2 ore property/global Ea_cfd6 vector 63627 85000 105908 fix Ea_H2 ore property/global Ea_cfd6 vector 85000 71162 92092
# particle parameters # particle parameters
fix porosity ore property/global porosity_ore vector 0.61 0.34 0.19 0.17 fix porosity ore property/global porosity_ore vector 0.613 0.318 0.187 0.17
fix tortuosity ore property/global tortuosity_ore scalar 3 fix tortuosity ore property/global tortuosity_ore scalar 3
fix pore_diameter ore property/global pore_diameter_ore scalar 1.e-7 fix pore_diameter ore property/global pore_diameter_ore scalar 1.e-6
fix layerDensities ore property/global density_ore vector 7870. 5740. 5170. 5240. fix layerDensities ore property/global density_ore vector 7870. 5740. 5170. 5240.
# define layer properties # define initial relative layer radii
fix LayerRelRadii ore property/atom relRadii vector yes no no 1.0 0.999 0.998 0.001 fix LayerRelRadii ore property/atom relRadii vector yes no no 1.0 0.999 0.998 0.001
################################################################################ ################################################################################
# write data to files for post-processing # write data to files for post-processing
@ -102,7 +102,7 @@ include ../DEM/in.liggghts_compute_output
################################################################################ ################################################################################
# screen output # screen output
thermo_style custom step atoms ke thermo_style custom step atoms ke
thermo 25 thermo 250
thermo_modify lost ignore norm no thermo_modify lost ignore norm no
compute_modify thermo_temp dynamic yes compute_modify thermo_temp dynamic yes