libICEpost.src.thermophysicalModels.specie.reactions.ReactionModel.Equilibrium

@author: F. Ramognino <federico.ramognino@polimi.it> Last update: 12/06/2023

Classes

`_equilibriumComputationMethods`	Create a collection of name/value pairs.
`Equilibrium`	Reaction model based on computation of chemical equilibrium which CANTERA.

Module Contents

class libICEpost.src.thermophysicalModels.specie.reactions.ReactionModel.Equilibrium._equilibriumComputationMethods(*args, **kwds)[source]

Bases: enum.Enum

Create a collection of name/value pairs.

Example enumeration:

>>> class Color(Enum):
...     RED = 1
...     BLUE = 2
...     GREEN = 3

Access them by:

attribute access:

>>> Color.RED
<Color.RED: 1>

value lookup:

>>> Color(1)
<Color.RED: 1>

name lookup:

>>> Color['RED']
<Color.RED: 1>

Enumerations can be iterated over, and know how many members they have:

>>> len(Color)
3

>>> list(Color)
[<Color.RED: 1>, <Color.BLUE: 2>, <Color.GREEN: 3>]

Methods can be added to enumerations, and members can have their own attributes – see the documentation for details.

average = 'average'

burntGas = 'burntGas'

adiabatiFlame = 'adiabaticFlame'

class libICEpost.src.thermophysicalModels.specie.reactions.ReactionModel.Equilibrium.Equilibrium(reactants: libICEpost.src.thermophysicalModels.specie.specie.Mixture.Mixture, mechanism: str, *, method: Literal['average', 'adiabatiFlame', 'burntGas'], state: libICEpost.src.thermophysicalModels.thermoModels.ThermoState.ThermoState)[source]

Bases: libICEpost.src.thermophysicalModels.specie.reactions.ReactionModel.ReactionModel.ReactionModel

Reaction model based on computation of chemical equilibrium which CANTERA.

oxidiser

The oxidiser

Type:: Molecule

reactants

The mixture of the reactants

Type:: Mixture

products

The mixture of products of the reaction

Type:: Mixture

specie

The molecules to consider in the equilibrium

Type:: list[Molecule]

mechanism

The path where the mechanism in yaml is stored

Type:: str

_ReactionType: str = None: The type for reactions to lookup for in the database

_reactor: cantera.composite.Solution: The ractor used to compute equilibrium in CANTERA

_mechamism: str: The path of the mechanism

classmethod fromDictionary(dictionary: dict)[source]

Constructs from dictionary

Parameters:: dictionary (dict) – The dictionary from which constructing: reactants (Mixture): the mixture of reactants mechanism (str): The path where is stored the chemical mechanism to use (yaml)

property mechanism: str: The path where the mechanism is stored.

property method: The method used to compute the equilibrium.

_mechanism

_method

_update(reactants: libICEpost.src.thermophysicalModels.specie.specie.Mixture.Mixture = None, *, state: libICEpost.src.thermophysicalModels.thermoModels.ThermoState.ThermoState) → bool[source]

Method to update the products.

Parameters:

reactants (Mixture, optional) – Update mixture of reactants. Defaults to None.
state (ThermoState) – Thermodynamic state to update the reaction model.

Returns:

wether the system was updated

Return type:

bool