libICEpost.src.thermophysicalModels.specie.reactions.functions
==============================================================

.. py:module:: libICEpost.src.thermophysicalModels.specie.reactions.functions

.. autoapi-nested-parse::

   @author: F. Ramognino       <federico.ramognino@polimi.it>
   Last update:        10/06/2024



Functions
---------

.. autoapisummary::

   libICEpost.src.thermophysicalModels.specie.reactions.functions.computeAlphaSt
   libICEpost.src.thermophysicalModels.specie.reactions.functions.computeAlpha
   libICEpost.src.thermophysicalModels.specie.reactions.functions.makeEquilibriumMechanism
   libICEpost.src.thermophysicalModels.specie.reactions.functions.computeLHV
   libICEpost.src.thermophysicalModels.specie.reactions.functions.computeMixtureEnergy


Module Contents
---------------

.. py:function:: computeAlphaSt(air: libICEpost.src.thermophysicalModels.specie.specie.Mixture.Mixture, fuel: libICEpost.src.thermophysicalModels.specie.specie.Mixture.Mixture, *, oxidizer: libICEpost.src.thermophysicalModels.specie.specie.Molecule.Molecule = database.chemistry.specie.Molecules.O2) -> float

   Compute the stoichiometric air-fuel ratio given air and fuel mixture compositions.

   :param air: The air mixture composition
   :type air: Mixture
   :param fuel: The fuel mixture composition
   :type fuel: Mixture
   :param oxidizer: The oxidizing molecule. Defaults to database.chemistry.specie.Molecules.O2.
   :type oxidizer: Molecule, optional

   :returns: float


.. py:function:: computeAlpha(air: libICEpost.src.thermophysicalModels.specie.specie.Mixture.Mixture, fuel: libICEpost.src.thermophysicalModels.specie.specie.Mixture.Mixture, reactants: libICEpost.src.thermophysicalModels.specie.specie.Mixture.Mixture, *, oxidizer: libICEpost.src.thermophysicalModels.specie.specie.Molecule.Molecule = database.chemistry.specie.Molecules.O2) -> float

   Compute the air-fuel ratio given air, fuel, and reactants mixture compositions.

   :param air: The air mixture composition
   :type air: Mixture
   :param fuel: The fuel mixture composition
   :type fuel: Mixture
   :param reactants: The reactants mixture composition
   :type reactants: Mixture
   :param oxidizer: The oxidizing molecule. Defaults to database.chemistry.specie.Molecules.O2.
   :type oxidizer: Molecule, optional

   :returns: float


.. py:function:: makeEquilibriumMechanism(path: str, species: Iterable[str], *, overwrite: bool = False) -> None

   Create a mechanism (in yaml format) for computation of chemical equilibrium
   (with cantera) with the desired specie. The thermophysical properties are
   based on NASA polinomials, which are looked-up in the corresponding database.

       File structure:
           phases:
           - name: gas
             thermo: ideal-gas
             elements: [C, H, N, ...]
             species: [AR, N2, HE, H2, ...]
             kinetics: gas
             state: {T: 300.0, P: 1 atm}

           species:
           - name: CO2
             composition: {C: 1, O:2}
             thermo:
                 model: NASA7
                 temperature-ranges: [200.0, 1000.0, 6000.0]
                 data:
                 - [...] #Low coefficients
                 - [...] #High coefficients
           - ...

   :param path: The path where to save the mechanism in .yaml format.
   :type path: str
   :param species: The list of specie to use in the mechanism.
   :type species: Iterable[Molecule]
   :param overwrite: Overwrite if found?  Defaults to False.
   :type overwrite: bool, optional


.. py:function:: computeLHV(fuel: libICEpost.src.thermophysicalModels.specie.specie.Molecule.Molecule | str | libICEpost.src.thermophysicalModels.specie.specie.Mixture.Mixture, *, fatal=True) -> float

   Compute the lower heating value (LHV) of a molecule. This must be stored in
   the database of fuels (database.chemistry.specie.Fuels), so that it has an
   oxidation reaction in the corresponding database (database.chemistry.reactions.StoichiometricReaction).

   :param fuel: Either the molecule, the name of the molecule, or a Mixture in case of multi-component fuel.
   :type fuel: Molecule|str|Mixture
   :param fatal: Raise error if fuel not found in database? Defaults to True.
   :type fatal: bool, optional

   :returns: The LHV [J/kg]
   :rtype: float


.. py:function:: computeMixtureEnergy(mixture: libICEpost.src.thermophysicalModels.specie.specie.Mixture.Mixture, oxidizer: libICEpost.src.thermophysicalModels.specie.specie.Molecule.Molecule = database.chemistry.specie.Molecules.O2) -> float

   Compute the energy of a mixture based on the LHV of fuels contained. Computes stoichiometric
   combustion based on the fuels in the database (database.chemistry.specie.Fuels).

   .. attribute:: mixture

      The mixture.

      :type: Mixture

   .. attribute:: oxidizer

      The oxidizing agend. Defaults to database.chemistry.specie.Molecules.O2.

      :type: Molecule, optional

   :returns: The avaliable chemical energy of the mixture [J/kg]
   :rtype: float