FELiCS.Equation.MixtureClass

FELiCS.Equation.MixtureClass#

Module Contents#

Classes#

MixtureClass

Defines a thermochemical mixture for reactive flow simulations.

Attributes#

logger

FELiCS.Equation.MixtureClass.logger#
class FELiCS.Equation.MixtureClass.MixtureClass(mixFilePath, speciesFilePath)#

Defines a thermochemical mixture for reactive flow simulations.

This class manages properties of a mixture defined in an external JSON file, including species, reaction mechanisms, transport properties, and viscosity.

Initialize the MixtureClass object

Parameters:

  • mixFilePath (str) – Relative path to the mixture JSON file (e.g., ‘Mixture.json’).

  • speciesFilePath (str) – Relative path to the species JSON file (not used in the constructor but stored).

Variables:

  • __Species__ (dict) – Dictionary of species involved in the mixture.

  • __Reaction_mechanism__ (dict) – Dictionary describing the type of reaction mechanism used.

  • __Pr__ (float) – Prandtl number of the mixture.

  • __Viscosity__ (dict) – Dictionary containing the viscosity model and its parameters.

Notes

  • If the mixture file is missing, default values are used.

  • A warning is issued if the mixture file is not a .json file.

  • The species data should be read later using readSpeciesDict.

Raises:

  • Warning – If the mixture file format is incorrect.

  • Info – If the file is not found and defaults are used.

property reactionMechanism#

Get the reaction mechanism definition.

Returns:

Dictionary describing the reaction mechanism.

Return type:

dict

property Pr#

Get the Prandtl number of the mixture.

Returns:

Prandtl number value.

Return type:

float

property Viscosity#

Get the viscosity model and its parameters.

Returns:

Dictionary containing the viscosity model (e.g., constant) and its parameters.

Return type:

dict

property species#

Get the species dictionary (alias to Species).

Returns:

Dictionary of species in the mixture.

Return type:

dict

property Species#

Get the species dictionary.

Returns:

Dictionary of species in the mixture.

Return type:

dict

getReactionMechanism()#

Return the dictionary describing the reaction mechanism.

Returns:

Dictionary containing the type and details of the reaction mechanism.

Return type:

dict

getSpeciesList(keyword='all')#

Return a list of species based on a specified category.

Parameters:

keyword ({'all', 'transported', 'constraint'}, optional) – Filter for returned species: - ‘all’: return all species. - ‘transported’: return only species for which a transport equation is solved. - ‘constraint’: return only passive (non-transported) species.

Returns:

List of species names matching the specified keyword.

Return type:

list of str

readSpeciesDict(filename)#

Read species data from a dictionary file and store relevant transport properties.

Parameters:

filename (str) – Path to the file containing a dictionary of species and their properties.

Notes

The file is expected to define a dictionary with entries for each species, each containing keys: ‘mol_weight’, ‘Sc’, and ‘Sc_t’. Only species classified as ‘transported’ will be processed.

Sc(specie)#

Return the Schmidt number for a specific species.

Parameters:

specie (str) – Name of the species.

Returns:

Schmidt number of the species.

Return type:

float

Raises:

KeyError – If the species is not defined in the species dictionary.

getSpeciesDict()#

Return the dictionary of species in the mixture.

Returns:

Dictionary with species names as keys and their properties as values.

Return type:

dict

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