libICEpost.src.thermophysicalModels.specie.reactions.Reaction
=============================================================

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

.. autoapi-nested-parse::

   @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
----------

.. toctree::
   :maxdepth: 1

   /autoapi/libICEpost/src/thermophysicalModels/specie/reactions/Reaction/Reaction/index
   /autoapi/libICEpost/src/thermophysicalModels/specie/reactions/Reaction/StoichiometricReaction/index


Classes
-------

.. autoapisummary::

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


Package Contents
----------------

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

   Bases: :py:obj:`libICEpost.src.base.BaseClass.BaseClass`


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

   ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

   .. attribute:: reactants

      Mixture
      The reactants

   .. attribute:: products

      Mixture
      The products


   .. py:attribute:: name
      :type:  str

      Name of the reaction


   .. py:property:: reactants


   .. py:property:: products


   .. py:property:: moleRatio

      The ratio of number of moles between products and reactants


   .. py:attribute:: _reactants


   .. py:attribute:: _products


   .. py:method:: __repr__()


   .. py:method:: checkAtomicSpecie()

      Checks that the atomic composition of the specie are consistent



   .. py:method:: update(mix: libICEpost.src.thermophysicalModels.specie.specie.Mixture.Mixture = None)

      Method to update the composition of reactants and products (interface).



   .. py:method:: _update(mix: libICEpost.src.thermophysicalModels.specie.specie.Mixture.Mixture = None)
      :abstractmethod:


      Method to update the composition of reactants and products (implementation).



   .. py:method:: releasedEnergy() -> float

      Compute the released energy from the reaction per unit mass.

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



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

   Bases: :py:obj:`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.

   ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~

   .. attribute:: reactants

      Mixture
      The reactants

   .. attribute:: products

      Mixture
      The products


   .. py:method:: fromDictionary(dictionary)
      :classmethod:


      Create from dictionary.
      {
          "reactants": list<Molecules>
              The molecules in the reactants
          "products": list<Molecules>
              The molecules in the products
      }



   .. py:method:: fromFuelOxidation(fuel: libICEpost.src.thermophysicalModels.specie.specie.Mixture.Molecule, oxidizer: libICEpost.src.thermophysicalModels.specie.specie.Mixture.Molecule = database.chemistry.specie.Molecules.O2)
      :classmethod:


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

      :param fuel: The fuel molecule.
      :type fuel: Molecule



   .. py:method:: fromOxidizerReduction(oxidizer: libICEpost.src.thermophysicalModels.specie.specie.Mixture.Molecule)
      :classmethod:


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

      :param oxidizer: The oxidizer molecule.
      :type oxidizer: Molecule



   .. py:method:: __str__()

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



   .. py:method:: _update(mix: libICEpost.src.thermophysicalModels.specie.specie.Mixture.Mixture = None)

      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.