1c4762a1bSJed Brown# 2c4762a1bSJed Brown# Run with ./extchem -options_file gasoline.inp 3c4762a1bSJed Brown# 4c4762a1bSJed Brown# The two input files come from OpenFoam tutorial for their 0-D chemistry solver chemFoam 5c4762a1bSJed Brown# 6c4762a1bSJed 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 7c4762a1bSJed Brown# 8c4762a1bSJed Brown# You may need to do 9c4762a1bSJed Brown# cp $PETSC_DIR/$PETSC_ARCH/share/periodictable.dat . 10c4762a1bSJed Brown# 11c4762a1bSJed Brown# 12c4762a1bSJed Brown-chem https://raw.githubusercontent.com/OpenFOAM/OpenFOAM-dev/master/tutorials/combustion/chemFoam/ic8h18/chemkin/chem.inp 13c4762a1bSJed Brown-thermo https://raw.githubusercontent.com/OpenFOAM/OpenFOAM-dev/master/tutorials/combustion/chemFoam/ic8h18/chemkin/therm.dat 14c4762a1bSJed Brown 15c4762a1bSJed Brown-initial_species IC8H18,O2,N2 16c4762a1bSJed Brown#initial concentration in moles 17c4762a1bSJed Brown-initial_mole 1,12.5,47.0 18c4762a1bSJed Brown 19c4762a1bSJed Brown#Temp in kelvin 20c4762a1bSJed Brown-Tini 800 21c4762a1bSJed Brown##pressure is in N/m2 22c4762a1bSJed Brown-pressure 5.06625e+06 23c4762a1bSJed Brown 24c4762a1bSJed Brown-ts_max_time 6.5e-3 25c4762a1bSJed Brown-ts_max_steps 100000000 26c4762a1bSJed Brown 27c4762a1bSJed Brown-monitor_temp 28c4762a1bSJed Brown 29c4762a1bSJed Brown# glee insists on very small timesteps so never makes any progress 30c4762a1bSJed Brown#-ts_adapt_type glee 31c4762a1bSJed Brown-ts_arkimex_fully_implicit 32*09cb0f53SBarry Smith-ts_max_snes_failures unlimited 33c4762a1bSJed Brown-ts_adapt_monitor 34c4762a1bSJed Brown-ts_adapt_dt_max 1e-3 35c4762a1bSJed Brown-ts_arkimex_type 4 36c4762a1bSJed Brown 37c4762a1bSJed Brown# the chemistry dictates reasonable bounds on the timestep 38c4762a1bSJed Brown-ts_adapt_dt_max 1e-4 39c4762a1bSJed Brown-ts_adapt_dt_min 1e-9 40c4762a1bSJed Brown 41c4762a1bSJed Brown-snes_max_it 10 42c4762a1bSJed Brown 43c4762a1bSJed Brown#-snes_stol 1.e-6 44c4762a1bSJed Brown 45c4762a1bSJed Brown# use direct solver (treats Jacobian as dense) 46c4762a1bSJed Brown-pc_type lu 47c4762a1bSJed Brown 48c4762a1bSJed Brown#-ts_monitor_lg_solution 49c4762a1bSJed Brown#-draw_pause -2 50c4762a1bSJed Brown-lg_use_markers false 51c4762a1bSJed Brown-ts_monitor_lg_solution_variables H2,O2,H2O,CH4,CO,CO2,C2H2,N2 52c4762a1bSJed Brown#-ts_monitor_envelope 53