1*c4762a1bSJed Brown# 2*c4762a1bSJed Brown# Run with ./extchem -options_file h2_10sp.inp 3*c4762a1bSJed Brown# 4*c4762a1bSJed Brown# If your machine is not connected to the internet you must obtain the two files below and store 5*c4762a1bSJed Brown# them in this directory (otherwise the program will automatically obtain them for you). 6*c4762a1bSJed Brown# 7*c4762a1bSJed Brown# curl https://combustion.llnl.gov/content/assets/docs/combustion/h2_v1a_therm.txt > h2_v1a_therm.txt 8*c4762a1bSJed Brown# curl https://combustion.llnl.gov/content/assets/docs/combustion/h2_v1b_mech.txt > h2_v1b_mech.txt 9*c4762a1bSJed Brown# 10*c4762a1bSJed Brown# You may need to do 11*c4762a1bSJed Brown# cp $PETSC_DIR/$PETSC_ARCH/share/periodictable.dat . 12*c4762a1bSJed Brown# 13*c4762a1bSJed Brown# 14*c4762a1bSJed Brown-chem https://combustion.llnl.gov/content/assets/docs/combustion/h2_v1b_mech.txt 15*c4762a1bSJed Brown-thermo https://combustion.llnl.gov/content/assets/docs/combustion/h2_v1a_therm.txt 16*c4762a1bSJed Brown 17*c4762a1bSJed Brown-initial_species H2,O2,N2 18*c4762a1bSJed Brown-initial_mole 1,0.5,1.88 19*c4762a1bSJed Brown 20*c4762a1bSJed Brown-Tini 1500 21*c4762a1bSJed Brown##pressure is in N/m2 22*c4762a1bSJed Brown-pressure 1.013e5 23*c4762a1bSJed Brown 24*c4762a1bSJed Brown-monitor_temp 25*c4762a1bSJed Brown 26*c4762a1bSJed Brown# the following line is needed because currently the basic adapter takes large steps and steps right over the ignition 27*c4762a1bSJed Brown-ts_adapt_type glee 28*c4762a1bSJed Brown-ts_arkimex_fully_implicit 29*c4762a1bSJed Brown-ts_max_snes_failures -1 30*c4762a1bSJed Brown-ts_adapt_monitor 31*c4762a1bSJed Brown-ts_arkimex_type 4 32*c4762a1bSJed Brown-ts_max_time 2.0e-4 33*c4762a1bSJed Brown 34*c4762a1bSJed Brown# the chemistry dictates reasonable bounds on the timestep 35*c4762a1bSJed Brown-ts_adapt_dt_max 1e-4 36*c4762a1bSJed Brown-ts_adapt_dt_min 1e-9 37*c4762a1bSJed Brown 38*c4762a1bSJed Brown-snes_max_it 10 39*c4762a1bSJed Brown-pc_type lu 40*c4762a1bSJed Brown 41*c4762a1bSJed Brown#-ts_monitor_lg_solution 42*c4762a1bSJed Brown#-draw_pause -2 43*c4762a1bSJed Brown#-lg_use_markers false 44*c4762a1bSJed Brown#-ts_monitor_lg_solution_variables H2,O2,H2O,CH4,CO,CO2,C2H2,N2 45*c4762a1bSJed Brown-ts_monitor_envelope 46