libICEpost.src.thermophysicalModels.specie.reactions.Reaction

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

Classes and packages for handling reactions in gaseous mixtures

Content of the package:

Reaction (class): Defines classes to model reactions
StoichiometricReaction (class): Class handling chemical reactions (transformation of reactants into products) through balancing of stoichiometry.

Submodules

Classes

`Reaction`	Base class for handling chemical reactions (transformation of reactants into products).
`StoichiometricReaction`	Class handling chemical reactions (transformation of reactants into products) through

Package Contents

class libICEpost.src.thermophysicalModels.specie.reactions.Reaction.Reaction(reactants: Iterable[libICEpost.src.thermophysicalModels.specie.specie.Molecule.Molecule], products: Iterable[libICEpost.src.thermophysicalModels.specie.specie.Molecule.Molecule], name: str = '')[source]

Bases: libICEpost.src.base.BaseClass.BaseClass

Base class for handling chemical reactions (transformation of reactants into products).

reactants: Mixture The reactants

products: Mixture The products

name: str: Name of the reaction

property reactants

property products

property moleRatio: The ratio of number of moles between products and reactants

_reactants

_products

__repr__()[source]

checkAtomicSpecie()[source]: Checks that the atomic composition of the specie are consistent

update(mix: libICEpost.src.thermophysicalModels.specie.specie.Mixture.Mixture = None)[source]: Method to update the composition of reactants and products (interface).

abstractmethod _update(mix: libICEpost.src.thermophysicalModels.specie.specie.Mixture.Mixture = None)[source]: Method to update the composition of reactants and products (implementation).

releasedEnergy() → float[source]

Compute the released energy from the reaction per unit mass.

Returns:: [J/kg]
Return type:: float

class libICEpost.src.thermophysicalModels.specie.reactions.Reaction.StoichiometricReaction(reactants: Iterable[libICEpost.src.thermophysicalModels.specie.specie.Mixture.Molecule], products: Iterable[libICEpost.src.thermophysicalModels.specie.specie.Mixture.Molecule], name: str = '')[source]

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

Class handling chemical reactions (transformation of reactants into products) through balancing of stoichiometry. Reaction happens infinitely fast with instantaneous conversion of reactants into products.

reactants: Mixture The reactants

products: Mixture The products

classmethod fromDictionary(dictionary)[source]

Create from dictionary. {

“reactants”: list<Molecules>
The molecules in the reactants

“products”: list<Molecules>
The molecules in the products

}

classmethod fromFuelOxidation(fuel: libICEpost.src.thermophysicalModels.specie.specie.Mixture.Molecule, oxidizer: libICEpost.src.thermophysicalModels.specie.specie.Mixture.Molecule = database.chemistry.specie.Molecules.O2)[source]

Create oxidation reactions for a fuel. Can handle oxidizers with H, N, O

Parameters:: fuel (Molecule) – The fuel molecule.

classmethod fromOxidizerReduction(oxidizer: libICEpost.src.thermophysicalModels.specie.specie.Mixture.Molecule)[source]

Create a reduction reaction of an oxidizer that is not in pure form (example NO2)

Parameters:: oxidizer (Molecule) – The oxidizer molecule.

__str__()[source]

Print the formula of the reaction (coefficient in mole fractions):: reactants => products

_update(mix: libICEpost.src.thermophysicalModels.specie.specie.Mixture.Mixture = None)[source]

mix: Mixture (None): The new mixture of reactants (if needs to be changed)

Computes the composition of reactants and products through mass balance of each atomic specie.

If system is not solvable, raises ValueError.

If there are molecules that remain inhert across the reaction raises a ValueError.