soln2cti

writes a solution object to a cantera cti file.

currently only works for Elementary, Falloff, Plog and ThreeBody Reactions Cantera development version 2.3.0a2 required

pymars.soln2cti.build_arrhenius(rate, reaction_order, reaction_type)

Builds Arrhenius coefficient string based on reaction type.

Parameters

  • rate (cantera.Arrhenius) – Arrhenius-form reaction rate coefficient

  • reaction_order (int or float) – Order of reaction (sum of reactant stoichiometric coefficients)

  • reaction_type ({cantera.ElementaryReaction, cantera.ThreeBodyReaction, cantera.PlogReaction}) – Type of reaction

Returns

String with Arrhenius coefficients

Return type

str

pymars.soln2cti.build_efficiencies(efficiencies, species_names, default_efficiency=1.0)

Creates line with list of third-body species efficiencies.

Parameters

  • efficiencies (dict) – Dictionary of species efficiencies

  • species_names (dict of str) – List of all species names

  • default_efficiency (float, optional) – Default efficiency for all species; will be 0.0 for reactions with explicit third body

Returns

Line with list of efficiencies

Return type

str

pymars.soln2cti.build_falloff(parameters, falloff_function)

Creates falloff reaction Troe parameter string

Parameters

  • parameters (numpy.ndarray) – Array of falloff parameters; length varies based on falloff_function

  • falloff_function ({'Troe', 'SRI'}) – Type of falloff function

Returns

falloff_string – String of falloff parameters

Return type

str

pymars.soln2cti.build_falloff_arrhenius(rate, reaction_order, reaction_type, pressure_limit)

Builds Arrhenius coefficient strings for falloff and chemically-activated reactions.

Parameters

  • rate (cantera.Arrhenius) – Arrhenius-form reaction rate coefficient

  • reaction_order (int or float) – Order of reaction (sum of reactant stoichiometric coefficients)

  • reaction_type ({ct.FalloffReaction, ct.ChemicallyActivatedReaction}) – Type of reaction

  • pressure_limit ({'high', 'low'}) – string designating pressure limit

Returns

Arrhenius coefficient string

Return type

str

pymars.soln2cti.section_break(section_title)

Return string with break and new section title

Parameters

section_title (str) – title string for next section break

Returns

String with section title and breaks

Return type

str

pymars.soln2cti.write(solution, output_filename='', path='')

Function to write cantera solution object to cti file.

Parameters

  • solution (cantera.Solution) – Model to be written

  • output_filename (str, optional) – Name of file to be written; if not provided, use solution.name

  • path (str, optional) – Path for writing file.

Returns

output_filename – Name of output model file (.cti)

Return type

str

Examples

>>> gas = cantera.Solution('gri30.cti')
>>> soln2cti.write(gas, 'copy_gri30.cti')
copy_gri30.cti