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added alpha_param and beta_param in input files
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Matteo Polimeno committed Oct 15, 2023
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# 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

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