diff --git a/tutorials/cfdemSolverRhoPimpleChem/simplifiedSiwek_in_CFDEM/CFD/constant/couplingProperties b/tutorials/cfdemSolverRhoPimpleChem/simplifiedSiwek_in_CFDEM/CFD/constant/couplingProperties index 98694a8d..39c88ddd 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/simplifiedSiwek_in_CFDEM/CFD/constant/couplingProperties +++ b/tutorials/cfdemSolverRhoPimpleChem/simplifiedSiwek_in_CFDEM/CFD/constant/couplingProperties @@ -31,7 +31,7 @@ syncMode false; modelType "A"; // A or B -couplingInterval 100; +couplingInterval 1000; voidFractionModel divided;//centre;// diff --git a/tutorials/cfdemSolverRhoPimpleChem/simplifiedSiwek_in_CFDEM/CFD/constant/g b/tutorials/cfdemSolverRhoPimpleChem/simplifiedSiwek_in_CFDEM/CFD/constant/g index 54b19059..abca4e14 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/simplifiedSiwek_in_CFDEM/CFD/constant/g +++ b/tutorials/cfdemSolverRhoPimpleChem/simplifiedSiwek_in_CFDEM/CFD/constant/g @@ -16,7 +16,7 @@ FoamFile // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // dimensions [0 1 -2 0 0 0 0]; -value ( 0 0 0 ); +value ( 0 -9.81 0 ); // ************************************************************************* // diff --git a/tutorials/cfdemSolverRhoPimpleChem/simplifiedSiwek_in_CFDEM/CFD/system/controlDict b/tutorials/cfdemSolverRhoPimpleChem/simplifiedSiwek_in_CFDEM/CFD/system/controlDict index 92c7aed6..d55e964d 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/simplifiedSiwek_in_CFDEM/CFD/system/controlDict +++ b/tutorials/cfdemSolverRhoPimpleChem/simplifiedSiwek_in_CFDEM/CFD/system/controlDict @@ -23,9 +23,9 @@ startTime 0; stopAt endTime; -endTime 0.5; +endTime 0.2; -deltaT 0.0001; +deltaT 0.005; writeControl adjustableRunTime; diff --git a/tutorials/cfdemSolverRhoPimpleChem/simplifiedSiwek_in_CFDEM/DEM/in.liggghts_init b/tutorials/cfdemSolverRhoPimpleChem/simplifiedSiwek_in_CFDEM/DEM/in.liggghts_init index 7be72d92..d3930d36 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/simplifiedSiwek_in_CFDEM/DEM/in.liggghts_init +++ b/tutorials/cfdemSolverRhoPimpleChem/simplifiedSiwek_in_CFDEM/DEM/in.liggghts_init @@ -1,18 +1,20 @@ # Pour granular particles into chute container, then induce flow -echo both atom_style granular atom_modify map array +echo both + communicate single vel yes boundary m m m newton off units si +processors 2 2 1 -region reg block -0.005 0.005 -0.005 0.005 -0.001 0.005 units box +region reg block 0. 0.1 0. 0.1 0. 0.05 units box create_box 1 reg -neighbor 0.001 bin +neighbor 0.002 bin neigh_modify delay 0 @@ -29,33 +31,41 @@ pair_coeff * * # timestep, gravity timestep 0.00001 -fix gravi all gravity 0.0 vector 0.0 0.0 -1.0 +fix gravi all gravity 9.81 vector 0.0 0.0 -1.0 + +# heat transfer (taken from packedBedTemp) +fix ftco all property/global thermalConductivity peratomtype 5. +fix ftca all property/global thermalCapacity peratomtype 10. +fix heattransfer all heat/gran initial_temperature 263. # walls -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 0.005 -fix cylwalls all wall/gran model hertz tangential history primitive type 1 zcylinder 0.01385 0. 0. +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 0.1 +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 0.1 +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 0.05 # particle distributions and insertion -region bc cylinder z 0.0 0.0 0.0012 0.0 0.005 units box -fix pts1 all particletemplate/sphere 1 atom_type 1 density constant 2000 radius constant 0.0005 +region bc block 0. 0.1 0. 0.1 0. 0.05 units box +fix pts1 all particletemplate/sphere 1 atom_type 1 density constant 2000 radius constant 0.001 fix pdd1 all particledistribution/discrete 1 1 pts1 1.0 -fix ins all insert/pack seed 1 distributiontemplate pdd1 vel constant 0. 0. -1. insert_every once overlapcheck yes all_in yes particles_in_region 10 region bc +fix ins all insert/pack seed 100001 distributiontemplate pdd1 vel constant 0. 0. 0. insert_every 100 overlapcheck yes all_in yes particles_in_region 20 region bc # apply nve integration to all particles that are inserted as single particles fix integr all nve/sphere # screen output -#compute rke all erotate/sphere -#thermo_style custom step atoms ke c_rke vol -#thermo 1000 -#thermo_modify lost ignore norm no -#compute_modify thermo_temp dynamic yes +compute rke all erotate/sphere +thermo_style custom step atoms ke c_rke vol +thermo 1000 +thermo_modify lost ignore norm no +compute_modify thermo_temp dynamic yes # insert the first particles so that dump is not empty run 1 -dump dmp all custom 5000 post/dump.liggghts_init id type x y z ix iy iz vx vy vz fx fy fz omegax omegay omegaz radius +dump dmp all custom 50 post/dump.liggghts_init id type x y z ix iy iz vx vy vz fx fy fz omegax omegay omegaz radius f_heattransfer[0] f_heatFlux[0] #force : f_couple_cfd[0] f_couple_cfd[1] f_couple_cfd[2] #node : f_couple_cfd[6] #cell id : f_couple_cfd[7] diff --git a/tutorials/cfdemSolverRhoPimpleChem/simplifiedSiwek_in_CFDEM/DEM/in.liggghts_run b/tutorials/cfdemSolverRhoPimpleChem/simplifiedSiwek_in_CFDEM/DEM/in.liggghts_run index 91375124..5c4d2561 100644 --- a/tutorials/cfdemSolverRhoPimpleChem/simplifiedSiwek_in_CFDEM/DEM/in.liggghts_run +++ b/tutorials/cfdemSolverRhoPimpleChem/simplifiedSiwek_in_CFDEM/DEM/in.liggghts_run @@ -15,8 +15,8 @@ processors 2 2 1 # read the restart file read_restart ../DEM/post/restart/liggghts.restart -neighbor 0.0005 bin -neigh_modify delay 0 +neighbor 0.003 bin +neigh_modify delay 0 binsize 0.01 # Material properties required for granular pair styles @@ -31,38 +31,63 @@ pair_coeff * * # timestep, gravity timestep 0.00001 -#fix gravi all gravity 0.0 vector 0.0 0.0 -1.0 +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 zplane 0.0 -fix zwalls2 all wall/gran model hertz tangential history primitive type 1 zplane 0.005 -fix cylwalls all wall/gran model hertz tangential history primitive type 1 zcylinder 0.01385 0. 0. +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 0.1 +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 0.1 +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 0.05 + +# heat transfer +fix ftco all property/global thermalConductivity peratomtype 5. # lambda in [W/(K*m)] +fix ftca all property/global thermalCapacity peratomtype 0.1 # cp in [J/(kg*K)] +fix heattransfer all heat/gran initial_temperature 600. + +# set particle temperature for the bed +run 0 +region total block INF INF INF INF INF INF units box +set region total property/atom Temp 600. # change the particles density -set group all density 2000 +# set group all density 2000 # cfd coupling -fix cfd all couple/cfd couple_every 100 mpi -fix cfd2 all couple/cfd/force/implicit -#fix cfd2 all couple/cfd/force/accumulator RongDrag 10 1.5e-3 -#fix cfd2 all couple/cfd/force/implicit/accumulated #CrankNicolson 0.5 +fix cfd all couple/cfd couple_every 100 mpi +fix cfd2 all couple/cfd/force + +# this one invokes heat transfer calculation, transfers per-particle temperature and adds convective heat flux to particles +fix cfd3 all couple/cfd/convection T0 600 + +# this should invoke chemistry +fix cfd4 all couple/cfd/chemistry n_species 6 species_names N2 O2 CH4 H2 CO2 H2O # apply nve integration to all particles that are inserted as single particles -fix integr all nve/sphere +fix integr all nve/sphere + +# cfd coupling +#fix cfd all couple/cfd couple_every 100 mpi +#fix cfd2 all couple/cfd/force/implicit +#fix cfd2 all couple/cfd/force/accumulator RongDrag 10 1.5e-3 +#fix cfd2 all couple/cfd/force/implicit/accumulated #CrankNicolson 0.5 +# apply nve integration to all particles that are inserted as single particles +#fix integr all nve/sphere # center of mass -compute centerOfMass all com +#compute centerOfMass all com # compute total dragforce #compute dragtotal all reduce sum f_dragforce[1] f_dragforce[2] f_dragforce[3] # screen output -#compute rke all erotate/sphere -#thermo_style custom step atoms ke c_rke vol c_centerOfMass[3] c_dragtotal[1] c_dragtotal[2] c_dragtotal[3] -#thermo 10 -#thermo_modify lost ignore norm no -#compute_modify thermo_temp dynamic yes +compute rke all erotate/sphere +thermo_style custom step atoms ke c_rke vol +thermo 1000 +thermo_modify lost ignore norm no +compute_modify thermo_temp dynamic yes -dump dmp all custom 5000 ../DEM/post/dump*.liggghts_run id type x y z vx vy vz fx fy fz f_dragforce[1] f_dragforce[2] f_dragforce[3] radius +dump dmp all custom 50 ../DEM/post/dump.liggghts_run id type x y z ix iy iz vx vy vz fx fy fz omegax omegay omegaz radius f_Temp[0] f_heatFlux[0] -run 1 +run 1