1*c4762a1bSJed Brown# 2*c4762a1bSJed Brown# Run with ./extchem -options_file gasoline.inp 3*c4762a1bSJed Brown# 4*c4762a1bSJed Brown# The two input files come from OpenFoam tutorial for their 0-D chemistry solver chemFoam 5*c4762a1bSJed Brown# 6*c4762a1bSJed Brown# The file names are too generic for this example so make sure you don't have other files with these names already in the directory 7*c4762a1bSJed Brown# 8*c4762a1bSJed Brown# You may need to do 9*c4762a1bSJed Brown# cp $PETSC_DIR/$PETSC_ARCH/share/periodictable.dat . 10*c4762a1bSJed Brown# 11*c4762a1bSJed Brown# 12*c4762a1bSJed Brown-chem https://raw.githubusercontent.com/OpenFOAM/OpenFOAM-dev/master/tutorials/combustion/chemFoam/ic8h18/chemkin/chem.inp 13*c4762a1bSJed Brown-thermo https://raw.githubusercontent.com/OpenFOAM/OpenFOAM-dev/master/tutorials/combustion/chemFoam/ic8h18/chemkin/therm.dat 14*c4762a1bSJed Brown 15*c4762a1bSJed Brown-initial_species IC8H18,O2,N2 16*c4762a1bSJed Brown#initial concentration in moles 17*c4762a1bSJed Brown-initial_mole 1,12.5,47.0 18*c4762a1bSJed Brown 19*c4762a1bSJed Brown#Temp in kelvin 20*c4762a1bSJed Brown-Tini 800 21*c4762a1bSJed Brown##pressure is in N/m2 22*c4762a1bSJed Brown-pressure 5.06625e+06 23*c4762a1bSJed Brown 24*c4762a1bSJed Brown-ts_max_time 6.5e-3 25*c4762a1bSJed Brown-ts_max_steps 100000000 26*c4762a1bSJed Brown 27*c4762a1bSJed Brown-monitor_temp 28*c4762a1bSJed Brown 29*c4762a1bSJed Brown# glee insists on very small timesteps so never makes any progress 30*c4762a1bSJed Brown#-ts_adapt_type glee 31*c4762a1bSJed Brown-ts_arkimex_fully_implicit 32*c4762a1bSJed Brown-ts_max_snes_failures -1 33*c4762a1bSJed Brown-ts_adapt_monitor 34*c4762a1bSJed Brown-ts_adapt_dt_max 1e-3 35*c4762a1bSJed Brown-ts_arkimex_type 4 36*c4762a1bSJed Brown 37*c4762a1bSJed Brown# the chemistry dictates reasonable bounds on the timestep 38*c4762a1bSJed Brown-ts_adapt_dt_max 1e-4 39*c4762a1bSJed Brown-ts_adapt_dt_min 1e-9 40*c4762a1bSJed Brown 41*c4762a1bSJed Brown-snes_max_it 10 42*c4762a1bSJed Brown 43*c4762a1bSJed Brown#-snes_stol 1.e-6 44*c4762a1bSJed Brown 45*c4762a1bSJed Brown# use direct solver (treats Jacobian as dense) 46*c4762a1bSJed Brown-pc_type lu 47*c4762a1bSJed Brown 48*c4762a1bSJed Brown#-ts_monitor_lg_solution 49*c4762a1bSJed Brown#-draw_pause -2 50*c4762a1bSJed Brown-lg_use_markers false 51*c4762a1bSJed Brown-ts_monitor_lg_solution_variables H2,O2,H2O,CH4,CO,CO2,C2H2,N2 52*c4762a1bSJed Brown#-ts_monitor_envelope 53