From b49a0134745380875c659cf2af2d5e0f133316df Mon Sep 17 00:00:00 2001 From: ekinaci Date: Wed, 27 Jul 2016 14:38:17 +0200 Subject: [PATCH] shrinking tutorial case --- .../Particle_in_Duct/CFD/constant/foam.dat | 4 ++-- .../Particle_in_Duct/CFD/constant/foam.inp | 1 - .../CFD/constant/thermophysicalProperties | 2 +- .../Particle_in_Duct/DEM/in.liggghts_init | 10 ++++++++-- .../Particle_in_Duct/DEM/in.liggghts_run | 12 ++++++++++-- 5 files changed, 21 insertions(+), 8 deletions(-) diff --git a/tutorials/cfdemSolverRhoPimpleChem/Particle_in_Duct/CFD/constant/foam.dat b/tutorials/cfdemSolverRhoPimpleChem/Particle_in_Duct/CFD/constant/foam.dat index 1cec9fd9..b5e7e0f4 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/Particle_in_Duct/CFD/constant/foam.dat +++ b/tutorials/cfdemSolverRhoPimpleChem/Particle_in_Duct/CFD/constant/foam.dat @@ -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; } -} +}*/ diff --git a/tutorials/cfdemSolverRhoPimpleChem/Particle_in_Duct/CFD/constant/foam.inp b/tutorials/cfdemSolverRhoPimpleChem/Particle_in_Duct/CFD/constant/foam.inp index d85afff1..e8157a67 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/Particle_in_Duct/CFD/constant/foam.inp +++ b/tutorials/cfdemSolverRhoPimpleChem/Particle_in_Duct/CFD/constant/foam.inp @@ -1,7 +1,6 @@ species ( O2 - CO CO2 ); diff --git a/tutorials/cfdemSolverRhoPimpleChem/Particle_in_Duct/CFD/constant/thermophysicalProperties b/tutorials/cfdemSolverRhoPimpleChem/Particle_in_Duct/CFD/constant/thermophysicalProperties index 33ab442a..fd23f175 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/Particle_in_Duct/CFD/constant/thermophysicalProperties +++ b/tutorials/cfdemSolverRhoPimpleChem/Particle_in_Duct/CFD/constant/thermophysicalProperties @@ -32,7 +32,7 @@ foamChemistryThermoFile "$casePath/CFD/constant/foam.dat"; foamChemistryFile "$casePath/CFD/constant/foam.inp"; -inertSpecie CO; //N2; +inertSpecie CO2; //N2; /*liquids { diff --git a/tutorials/cfdemSolverRhoPimpleChem/Particle_in_Duct/DEM/in.liggghts_init b/tutorials/cfdemSolverRhoPimpleChem/Particle_in_Duct/DEM/in.liggghts_init index dd86f1fd..75d62881 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/Particle_in_Duct/DEM/in.liggghts_init +++ b/tutorials/cfdemSolverRhoPimpleChem/Particle_in_Duct/DEM/in.liggghts_init @@ -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 diff --git a/tutorials/cfdemSolverRhoPimpleChem/Particle_in_Duct/DEM/in.liggghts_run b/tutorials/cfdemSolverRhoPimpleChem/Particle_in_Duct/DEM/in.liggghts_run index 58d050e4..c8d6ac47 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/Particle_in_Duct/DEM/in.liggghts_run +++ b/tutorials/cfdemSolverRhoPimpleChem/Particle_in_Duct/DEM/in.liggghts_run @@ -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