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added alpha_param and beta_param in input files
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Matteo Polimeno
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Oct 15, 2023
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exec/compressible_stag/test_NO2_updated_input_files/inputs_NO2_N2O4_eq_SF
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# random number seed | ||
# 0 = unpredictable seed based on clock | ||
# positive = fixed seed | ||
seed = 0 | ||
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# 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 | ||
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# Number of ghost cells, conserved, and primitive variables | ||
# --------------------- | ||
ngc = 2 2 2 | ||
nvars = 7 | ||
nprimvars = 10 | ||
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# number of cells in domain | ||
n_cells = 16 16 16 | ||
# max number of cells in a box | ||
max_grid_size = 4 4 4 | ||
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# Time-step control | ||
fixed_dt = 1.e-12 | ||
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# Controls for number of steps between actions | ||
max_step = 1000000 | ||
plot_int = 100000 | ||
chk_int = -1 | ||
restart = -1 | ||
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# Multispecies toggle | ||
# if algorithm_type = 1, single component | ||
# if algorithm_type = 2, multispecies | ||
algorithm_type = 2 | ||
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# 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 | ||
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# Advection method | ||
# if advection_type = 1, interpolate conserved quantities | ||
# if advection_type = 2, interpolate primitive quantities | ||
advection_type = 2 | ||
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# 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 | ||
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# Initial parameters | ||
k_B = 1.38064852e-16 # [units: cm2*g*s-2*K-1] | ||
Runiv = 8.314462175e7 | ||
T_init = 350 | ||
rho0 = 1.855335e-03 | ||
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struct_fact_int = 1 | ||
n_steps_skip = 100000 | ||
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# 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 | ||
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# Temperature if thermal BC specified | ||
t_hi = 350 350 350 | ||
t_lo = 350 350 350 | ||
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#Kinetic species info | ||
#-------------- | ||
nspecies = 2 | ||
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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 | ||
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plot_means = 1 | ||
plot_vars = 1 | ||
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# dimerization reaction | ||
# react1 : 2A -> A_2 | ||
# react2 : A_2 -> 2A | ||
# spec1 = A | ||
# spec2 = A_2 | ||
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nreaction = 2 | ||
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T0_chem = 350 | ||
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rate_const = 5.194896e+26 2.326169e+27 | ||
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alpha_param = 0 0 | ||
beta_param = 0 0 | ||
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stoich_1R = 2 0 | ||
stoich_1P = 0 1 | ||
stoich_2R = 0 1 | ||
stoich_2P = 2 0 | ||
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# 0 = Deterministic Chemistry | ||
# 1 = CLE (Chemical Langevin Equation) | ||
# 2 = SSA (Stochastic Simulation Algorithm) | ||
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reaction_type = 1 |