libICEpost.src.thermophysicalModels.specie.reactions.ReactionModel.DissociationModel

@author: F. Ramognino <federico.ramognino@polimi.it> Last update: 01/02/2024

Defines classes to handel dissociation of specie in a mixture. Used in the Stoichiometry reaction model to impose dissociation of molecules.

Content of the package:

DissociationModel (module)

Base class

ConstantDissociationFraction (module)

Dissociation of a molacule with constant dissociation fraction

Submodules

• libICEpost.src.thermophysicalModels.specie.reactions.ReactionModel.DissociationModel.ConstantDissociationFraction
• libICEpost.src.thermophysicalModels.specie.reactions.ReactionModel.DissociationModel.DissociationModel

Classes

DissociationModel	Defines classes to describe dissociation of some species in a mixture.
ConstantDissociationFraction	Dissociation of a molecule based on a constant mass/mole fraction of the dissociated specie.

Package Contents

class libICEpost.src.thermophysicalModels.specie.reactions.ReactionModel.DissociationModel.DissociationModel(*, state: libICEpost.src.thermophysicalModels.thermoModels.ThermoState.ThermoState = None)

Bases: libICEpost.src.base.BaseClass.BaseClass

Defines classes to describe dissociation of some species in a mixture.

_state: libICEpost.src.thermophysicalModels.thermoModels.ThermoState.ThermoState | None

The last thermodynamic state used to update the model

property state

The last thermodynamic state used to update the reaction model

update(*, state: libICEpost.src.thermophysicalModels.thermoModels.ThermoState.ThermoState = None) → bool

Method to update model (interface).

Parameters:

state (ThermoState, optional) – Thermodynamic state to update the model.

Returns:

if something changed

Return type:

bool

abstractmethod _update(*, state: libICEpost.src.thermophysicalModels.thermoModels.ThermoState.ThermoState = None) → bool

Method to update the model (implementation).

Parameters:

state (ThermoState) – Thermodynamic state to update the model.

Returns:

if something changed

Return type:

bool

apply(mixture: libICEpost.src.thermophysicalModels.specie.specie.Mixture.Mixture, *, inplace: bool = True) → libICEpost.src.thermophysicalModels.specie.specie.Mixture.Mixture | None

Apply the dissociation model to the mixture. In-place update the mixture composition. If inplace=False, return the changed mixture.

VIRTUAL METHOD

Parameters:

• mixture (Mixture) – The mixture to manipulate to impose the dissociation

• inplace (bool, optional) – If inplace is True, change mixture and return None, else update mixture compositon. Defaults to True.

class libICEpost.src.thermophysicalModels.specie.reactions.ReactionModel.DissociationModel.ConstantDissociationFraction(molecule: libICEpost.src.thermophysicalModels.specie.specie.Molecule.Molecule, products: Iterable[libICEpost.src.thermophysicalModels.specie.specie.Molecule.Molecule], fraction: float, *, fracType: Literal['mass', 'mole'] = 'mass', state: libICEpost.src.thermophysicalModels.thermoModels.ThermoState.ThermoState = None)

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

Dissociation of a molecule based on a constant mass/mole fraction of the dissociated specie.

_fraction: float

The mass/mole fraction to dissociate

_fracType: str

The method to compure the fraction to dissociate (mass or mole)

_molecule: libICEpost.src.thermophysicalModels.specie.specie.Molecule.Molecule

The molecule to dissociate

_reaction: libICEpost.src.thermophysicalModels.specie.reactions.Reaction.StoichiometricReaction.StoichiometricReaction

The reaction used to compute the dissociation

property fraction: float

The mass/mole fraction to dissociate

property fracType: str

The method to compure the fraction to dissociate (mass or mole)

property molecule: libICEpost.src.thermophysicalModels.specie.specie.Molecule.Molecule

The molecule to dissociate

property reaction: libICEpost.src.thermophysicalModels.specie.reactions.Reaction.StoichiometricReaction.StoichiometricReaction

The reaction used to compute the dissociation

classmethod fromDictionary(dictionary: dict)

Construct from dictionary

Parameters:

dictionary (dict) – Dictionary containing: molecule (Molecule): The molecule to dissociate. products (Iterable[Molecule]): The molecules in which this dissociates (balance automatically computed). fraction (float): The mass/mole fraction of this molecule that dissociates. fracType (Literal[&quot;mass&quot;, &quot;mole&quot;], optional): How to compute the dissociation fraction. Defaults to “mass”.

Returns:

Instance of this class.

Return type:

ConstantDissociationFraction

_update(*, state: libICEpost.src.thermophysicalModels.thermoModels.ThermoState.ThermoState = None) → bool

Method to update the model (implementation).

Parameters:

state (ThermoState) – Thermodynamic state to update the model.

Returns:

if something changed

Return type:

bool

apply(mixture: libICEpost.src.thermophysicalModels.specie.specie.Mixture.Mixture, *, inplace: bool = True) → libICEpost.src.thermophysicalModels.specie.specie.Mixture.Mixture | None

Apply the dissociation model to the mixture. In-place update the mixture composition. If inplace=False, return the changed mixture.

Parameters:

• mixture (Mixture) – The mixture to manipulate to impose the dissociation

• inplace (bool, optional) – If inplace is True, change mixture and return None, else update mixture compositon. Defaults to True.