input.toml

# config.toml
# Configuration for flamelet table generation

# [restart]
# solutions_file = "flamelet_results/solutions_meta.h5"
# solution_index = 50

[mechanism]
file = "gri30.yaml"                                      # Path to mechanism file
transport_model = "mixture-averaged"                     # Transport model: "unity-Lewis-number", "mixture-averaged", or "multicomponent"
prog_def = { CO = 1.0, H2 = 1.0, CO2 = 1.0, H2O = 1.0 }  # Progress variable definition

[conditions]
pressure = 101325.0      # Operating pressure in Pa
initial_chi_st = 1.0e-4  # Initial target scalar dissipation rate

[fuel_inlet]
composition = { CH4 = 1.0 }  # Pure methane
temperature = 300.0          # Temperature in K

[oxidizer_inlet]
composition = { O2 = 0.21, N2 = 0.79 }  # Air
temperature = 300.0                     # Temperature in K

[solver]
output_dir = "flamelet_results"  # Output directory
create_plots = true              # Whether to create visualization plots
width_ratio = 10.0               # Ratio of domain width to flame thickness
width_change_enable = false      # Enable domain width changes
width_change_max = 0.1           # Maximum domain width change
width_change_min = 0.05          # Minimum domain width change
n_max = 5000                     # Maximum number of iterations
loc_algo_left = "spacing"        # Algorithm to use to calculate left control point: "spacing", "max_dTdx", or "next_to_max"
loc_algo_right = "spacing"       # Algorithm to use to calculate right control point: "spacing", "max_dTdx", or "next_to_max"
initial_spacing = 0.7            # Initial control point spacing if using "spacing" algorithm for two-point control
delta_T_type = "absolute"        # "absolute" [K] or "relative" [fraction]
delta_T = 5                      # Initial temperature delta_T
max_delta_T = 10                 # Maximum temperature delta_T
target_delta_T_max = 5           # Target maximum temperature change
max_error_count = 3              # Maximum consecutive solver errors
strain_rate_tol = 0.01           # Minimum strain rate ratio for termination
n_extinction_points = 10         # Number of points to solve along the extinction branch
write_FlameMaster = true         # Write each solution in FlameMaster format
loglevel = 0                     # Log level for the Cantera solver

[tabulation]
dims = [200, 2, 200]                       # Number of points in each dimension: [Z, Zvar, L]
force_monotonicity = false                 # Force monotonicity in the flamelet table
igniting_table = false                     # Whether to create an igniting table
include_species_mass_fractions = "all"     # Species mass fractions to include in the table: "all" or list of species
include_species_production_rates = "all"   # Species production rates to include in the table: "all" or list of species
include_energy_enthalpy_components = true  # Whether to include energy and enthalpy components in the table

[plotting.s_curve]
x_quantity = "chi_st"  # x-axis quantity: "strain_rate" or "chi_st"
y_quantity = "T_max"   # y-axis quantity: "T_max" or "T_st"

[plotting.profiles]
# num_profiles = 10     # Number of profiles to plot
colormap = "viridis"  # Colormap for temperature profiles

[plotting.table]
vars = ["T0", "SRC_PROG", "OH", "CO"]  # Variables to plot, or "all"
colormap = "viridis"                   # Colormap for table plots