pmutt.io.chemkin.write_gas

pmutt.io.chemkin.write_gas(nasa_species, filename=None, T=298.15, reactions=[], species_delimiter='+', reaction_delimiter='=', act_method_name='get_E_act', act_unit='kcal/mol', float_format=' .3E', stoich_format='.0f', newline='\n', column_delimiter='  ', **kwargs)

Writes the gas.inp Chemkin file.

Parameters:

  • nasa_species (list of Nasa objects) – Surface and gas species used in Chemkin mechanism. Used to write elements section

  • filename (str, optional) – File name for gas.inp file. If not specified, returns gas.inp as string

  • reactions (Reactions object, optional) – Reactions in mechanism. Reactions with only gas-phase species will be written to this file

Returns:

lines_out – gas.inp lines as a string if filename is None

Return type:

str