From d227090570f2005d3f0811077df938bb63eabb48 Mon Sep 17 00:00:00 2001 From: danielque Date: Thu, 9 Feb 2023 14:51:07 +0100 Subject: [PATCH] adjust particle properties in R2_FB case --- .../R2_FB/DEM/in.liggghts_init | 21 +++++++------ .../R2_FB/DEM/in.liggghts_run | 30 +++++++++---------- 2 files changed, 27 insertions(+), 24 deletions(-) diff --git a/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/DEM/in.liggghts_init b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/DEM/in.liggghts_init index ce507b89..d61bb864 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/DEM/in.liggghts_init +++ b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/DEM/in.liggghts_init @@ -8,7 +8,8 @@ # copyright: 2022- JKU Linz # ################################################################################ -coarsegraining 7.0 model_check error +variable cg equal 7.0 +coarsegraining ${cg} model_check error atom_style granular atom_modify map array @@ -25,7 +26,7 @@ create_box 2 reg neighbor 1e-4 bin 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 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 @@ -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 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 +# particle templates and distributions + # iron-ore range -fix pts1 all particletemplate/sphere 51 atom_type 1 density constant 4300 radius constant 6.25e-05 -fix pts2 all particletemplate/sphere 41 atom_type 1 density constant 4300 radius constant 0.000125 +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 0.000105 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 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 -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 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 -# make groups +# create groups group ore type 1 group quartz type 2 diff --git a/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/DEM/in.liggghts_run b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/DEM/in.liggghts_run index 79fd7a30..a8f8c5a2 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/DEM/in.liggghts_run +++ b/tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/DEM/in.liggghts_run @@ -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 # pair style -pair_style gran model hertz tangential history # Hertzian without cohesion +pair_style gran model hertz tangential history pair_coeff * * # timestep, gravity @@ -47,17 +47,17 @@ timestep 0.000005 fix gravi all gravity 9.81 vector 0.0 -1.0 0.0 # 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 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 -fix ftco all property/global thermalConductivity peratomtype 1.4 1.4 -fix ftca all property/global thermalCapacity peratomtype 3000 5000 +# thermal properties +fix ftco all property/global thermalConductivity peratomtype 1.4 3.0 # [W/(K*m)] +fix ftca all property/global thermalCapacity peratomtype 1000 800 # [J/(kg*K)] fix integr all nve/sphere -# re-make groups +# re-create groups group ore type 1 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 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 Ea_H2 ore property/global Ea_cfd6 vector 63627 85000 105908 +fix k0_H2 ore property/global k0_cfd6 vector 17 23 160 +fix Ea_H2 ore property/global Ea_cfd6 vector 85000 71162 92092 # 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 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. -# define layer properties -fix LayerRelRadii ore property/atom relRadii vector yes no no 1.0 0.999 0.998 0.001 +# define initial relative layer radii +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 @@ -102,7 +102,7 @@ include ../DEM/in.liggghts_compute_output ################################################################################ # screen output thermo_style custom step atoms ke -thermo 25 +thermo 250 thermo_modify lost ignore norm no compute_modify thermo_temp dynamic yes