:py:mod:`FELiCS.Equation.Reactions.GlobalReaction`
==================================================

.. py:module:: FELiCS.Equation.Reactions.GlobalReaction


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

Classes
~~~~~~~

.. autoapisummary::

   FELiCS.Equation.Reactions.GlobalReaction.GlobalReaction




.. py:class:: GlobalReaction(reaction_mechanism)


   Represents a global one-step chemical reaction mechanism.

   This class encapsulates the parameters and methods required to model a global reaction, including reading reaction data, computing mean fields, and handling heat release.

   **Initialize the GlobalReaction object**

   :param reaction_mechanism: Dictionary containing reaction mechanism parameters.
   :type reaction_mechanism: :py:class:`dict`

   :ivar mixtureDirectory: Directory name for mixture data.
   :vartype mixtureDirectory: :py:class:`str`
   :ivar speciesDirectory: Directory name for species data.
   :vartype speciesDirectory: :py:class:`str`
   :ivar A: Pre-exponential factor for the reaction.
   :vartype A: :py:class:`float` or :py:obj:`None`
   :ivar Ta: Activation temperature.
   :vartype Ta: :py:class:`float` or :py:obj:`None`
   :ivar a: Stoichiometric coefficient for oxygen.
   :vartype a: :py:class:`float` or :py:obj:`None`
   :ivar b: Stoichiometric coefficient for carbon.
   :vartype b: :py:class:`float` or :py:obj:`None`
   :ivar beta: Temperature exponent.
   :vartype beta: :py:class:`float` or :py:obj:`None`
   :ivar h0: Heat of reaction.
   :vartype h0: :py:class:`float` or :py:obj:`None`
   :ivar st_C: Stoichiometric coefficient for carbon species.
   :vartype st_C: :py:class:`float` or :py:obj:`None`
   :ivar st_O: Stoichiometric coefficient for oxygen species.
   :vartype st_O: :py:class:`float` or :py:obj:`None`
   :ivar WO: Molecular weight of oxygen.
   :vartype WO: :py:class:`float` or :py:obj:`None`
   :ivar WC: Molecular weight of carbon.
   :vartype WC: :py:class:`float` or :py:obj:`None`
   :ivar reactionName: Name of the reaction.
   :vartype reactionName: :py:class:`str`
   :ivar Q: Mean field reaction rate.
   :vartype Q: :py:class:`dolfinx.fem.Function` or :py:obj:`None`
   :ivar i_rho: Index of density in solution list.
   :vartype i_rho: :py:class:`int` or :py:obj:`None`
   :ivar i_C: Index of CH4 in solution list.

   :vartype i_C: :py:class:`int` or :py:obj:`None`

   .. py:method:: ReadReactionDict(reaction)

      Reads reaction parameters from a dictionary and updates class attributes.

      :param reaction: Dictionary containing reaction parameters.
      :type reaction: :py:class:`dict`

      .. admonition:: Notes

         This method sets the reaction coefficients and molecular weights based on the provided reaction dictionary.


   .. py:method:: computeMeanField(mean, ele)

      Computes the mean field reaction rate and interpolates it as a function.

      :param mean: Object containing mean flow properties (e.g., temperature, density, species mass fractions).
      :type mean: :py:class:`object`
      :param ele: Function space for interpolation.
      :type ele: :py:class:`dolfinx.fem.FunctionSpace`

      :returns: **Q** -- Interpolated mean field reaction rate.
      :rtype: :py:class:`dolfinx.fem.Function`

      .. admonition:: Notes

         Uses the reaction parameters and mean flow properties to construct the reaction rate expression.


   .. py:method:: addReaction(mean, testf, fluc, solutionList)

      Adds the reaction term to the weak form.

      :param mean: Object containing mean flow properties.
      :type mean: :py:class:`object`
      :param testf: List of test functions.
      :type testf: :py:class:`list`
      :param fluc: Object containing fluctuation properties.
      :type fluc: :py:class:`object`
      :param solutionList: List of solution variable names.
      :type solutionList: :py:class:`list` of :py:class:`str`

      :returns: **reaction_term** -- Weak form expression for the reaction term.
      :rtype: :py:class:`ufl.Form`

      .. admonition:: Notes

         The method computes the indices for relevant variables and constructs the weak form using the reaction rate and heat release.


   .. py:method:: dQ_(mean, fluc)

      Computes the fluctuation of the reaction rate.

      :param mean: Object containing mean flow properties.
      :type mean: :py:class:`object`
      :param fluc: Object containing fluctuation properties.
      :type fluc: :py:class:`object`

      :returns: **dQ** -- Fluctuation of the reaction rate.
      :rtype: :py:class:`float`

      .. admonition:: Notes

         The calculation uses stoichiometric coefficients and mean/fluctuation values for temperature and species.


   .. py:method:: postHeatRelease(mean, prho, pCH4, ele)

      Computes the post-processed heat release form.

      :param mean: Object containing mean flow properties.
      :type mean: :py:class:`object`
      :param prho: Perturbation in density.
      :type prho: :py:class:`float`
      :param pCH4: Perturbation in CH4 mass fraction.
      :type pCH4: :py:class:`float`
      :param ele: Function space for interpolation.
      :type ele: :py:class:`dolfinx.fem.FunctionSpace`

      .. admonition:: Notes

         The `ele` parameter is included for compatibility with the original method signature; however, it is not used in this mehtod.

      :returns: **heat_release_field** -- Interpolated post-processed heat release form.
      :rtype: :py:class:`dolfinx.fem.Function`


   .. py:method:: postdQ(mean, prho, pCH4)

      Computes the post-processed fluctuation of the reaction rate.

      :param mean: Object containing mean flow properties.
      :type mean: :py:class:`object`
      :param prho: Perturbation in density.
      :type prho: :py:class:`float`
      :param pCH4: Perturbation in CH4 mass fraction.
      :type pCH4: :py:class:`float`

      :returns: **dQ** -- Post-processed fluctuation of the reaction rate.
      :rtype: :py:class:`float`