diff --git a/exec/compressible_stag/test_NO2_updated_input_files/inputs_NO2_N2O4_eq_SF b/exec/compressible_stag/test_NO2_updated_input_files/inputs_NO2_N2O4_eq_SF new file mode 100644 index 00000000..21801665 --- /dev/null +++ b/exec/compressible_stag/test_NO2_updated_input_files/inputs_NO2_N2O4_eq_SF @@ -0,0 +1,126 @@ +# random number seed +# 0 = unpredictable seed based on clock +# positive = fixed seed +seed = 0 + +# Problem specification +prob_lo = 0.0 0.0 0.0 # physical lo coordinate +prob_hi = 1.28e-04 1.28e-04 1.28e-04 # physical hi coordinate + +# Number of ghost cells, conserved, and primitive variables +# --------------------- +ngc = 2 2 2 +nvars = 7 +nprimvars = 10 + +# number of cells in domain +n_cells = 16 16 16 +# max number of cells in a box +max_grid_size = 4 4 4 + +# Time-step control +fixed_dt = 1.e-12 + +# Controls for number of steps between actions +max_step = 1000000 +plot_int = 100000 +chk_int = -1 +restart = -1 + + +# Multispecies toggle +# if algorithm_type = 1, single component +# if algorithm_type = 2, multispecies +algorithm_type = 2 + +# Viscous tensor form +# if visc_type = 1, L = not-symmetric (bulk viscosity = 0) +# if visc_type = 2, L = symmetric (bulk viscosity = 0) +# if visc_type = 3, L = symmetric + bulk viscosity +visc_type = 2 + +# Advection method +# if advection_type = 1, interpolate conserved quantities +# if advection_type = 2, interpolate primitive quantities +advection_type = 2 + +# Problem specification +# if prob_type = 1, constant species concentration +# if prob_type = 2, Rayleigh-Taylor instability +# if prob_type = 3, diffusion barrier +prob_type = 1 + +# Initial parameters +k_B = 1.38064852e-16 # [units: cm2*g*s-2*K-1] +Runiv = 8.314462175e7 +T_init = 350 +rho0 = 1.855335e-03 + +struct_fact_int = 1 +n_steps_skip = 100000 + +# Boundary conditions: +# NOTE: setting bc_vel to periodic sets all the other bc's to periodic) +# bc_vel: -1 = periodic +# 1 = slip +# 2 = no-slip +# bc_mass: -1 = periodic +# 1 = wall +# 2 = concentration (set bc_Yk or bc_Xk in compressible namelist) +# 3 = reservoir (set bc_Yk or bc_Xk in compressible namelist) +# bc_therm: -1 = periodic +# 1 = adiabatic +# 2 = isothermal (set with t_lo/hi in common namelist) +bc_vel_lo = -1 -1 -1 +bc_vel_hi = -1 -1 -1 +bc_mass_lo = -1 -1 -1 +bc_mass_hi = -1 -1 -1 +bc_therm_lo = -1 -1 -1 +bc_therm_hi = -1 -1 -1 + +# Temperature if thermal BC specified +t_hi = 350 350 350 +t_lo = 350 350 350 + +#Kinetic species info +#-------------- +nspecies = 2 + +molmass = 46.0055 92.0110 +diameter = 3.765e-08 4.621e-08 +rhobar = 7.267597e-01 2.732403e-01 +# Enter negative dof to use hcv & hcp values +dof = 7.279582 18.049065 +hcv = -1 -1 +hcp = -1 -1 +e0 = 4.684542e+09 -1.730892e+09 + +plot_means = 1 +plot_vars = 1 + + +# dimerization reaction +# react1 : 2A -> A_2 +# react2 : A_2 -> 2A +# spec1 = A +# spec2 = A_2 + +nreaction = 2 + +T0_chem = 350 + +rate_const = 5.194896e+26 2.326169e+27 + +alpha_param = 0 0 +beta_param = 0 0 + +stoich_1R = 2 0 +stoich_1P = 0 1 +stoich_2R = 0 1 +stoich_2P = 2 0 + +# 0 = Deterministic Chemistry +# 1 = CLE (Chemical Langevin Equation) +# 2 = SSA (Stochastic Simulation Algorithm) + +reaction_type = 1