pyjac.core.mech_interpret module¶

Chemkin-format mechanism interpreter module.

pyjac.core.mech_interpret.pre_units = ['moles', 'molecules']¶: list(str) – Supported units list for pre-exponential factor

pyjac.core.mech_interpret.act_energy_units = ['kelvins', 'evolts', 'cal/mole', 'joules/kmole', 'kcal/mole', 'joules/mole', 'kjoules/mole']¶: list(str) – Supported units list for activation energy

pyjac.core.mech_interpret.act_energy_fact = {'cal/mole': 0.5032195648591627, 'evolts': 11595.0, 'joules/kmole': 0.00012027236253804078, 'joules/mole': 0.1202723625380408, 'kcal/mole': 503.2195648591627, 'kelvins': 1.0, 'kjoules/mole': 120.2723625380408}¶: dict – Activation energy conversion factor

pyjac.core.mech_interpret.read_mech(mech_filename, therm_filename)[source]¶

Read and interpret mechanism file for elements, species, and reactions.

Parameters:

mech_filename (str) – Reaction mechanism filename (e.g. ‘mech.dat’)
therm_filename (str, optional) – Thermodynamic database filename (e.g., ‘therm.dat’)

Returns:

Notes

Doesn’t support element names with digits.

pyjac.core.mech_interpret.read_thermo(filename, elems, specs)[source]¶

Read and interpret thermodynamic database for species data.

Reads the thermodynamic file and returns the species thermodynamic coefficients as well as the species-specific temperature range values (if given).

Parameters:	filename (str) – Name of thermo database file. elems (list of str) – List of element names in mechanism. specs (list of `SpecInfo`) – List of species in mechanism.
Returns:
Return type:	None

pyjac.core.mech_interpret.read_mech_ct(filename=None, gas=None)[source]¶

Read and interpret Cantera-format mechanism file.

Parameters:

filename (str) – Reaction mechanism filename (e.g. ‘mech.cti’). Optional.
gas (cantera.Solution object) – Existing Cantera Solution object to be used. Optional.

Returns:

pyJac