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reordered yaml description
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pjsingal committed Sep 5, 2024
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20 changes: 10 additions & 10 deletions doc/sphinx/yaml/reactions.rst
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Expand Up @@ -406,6 +406,16 @@ A complex-forming reaction (one that depends on both P and X) parameterized
according to the reduced-pressure linear mixture rule as
:ref:`described here <sec-linear-burke>`.

The pressure-dependent aspect of the rate constant can be parameterized in the user's choice of
:ref:`Troe <sec-yaml-falloff>`,
:ref:`pressure-dependent-arrhenius <sec-yaml-pressure-dependent-Arrhenius>`, or
:ref:`Chebyshev <sec-yaml-Chebyshev>` representations. The same parameters used for a standalone
Troe, PLOG, or Chebyshev reaction are then inserted directly below ``eps`` or ``eig0`` for a given collider
(note: Troe cannot be given its own ``efficiencies`` key). At minimum, this treatment must be applied to ``"M"``.
However, additional colliders may also be given their own Troe, PLOG, or Chebyshev
parameterization if so desired. Mixing and matching of types within the same reaction is allowed (e.g., a PLOG
table for ``"M"``, Troe parameters for ``"H2"``, and Chebyshev data for ``"NH3"``).

Additional fields are:

``collider-list``
Expand All @@ -429,16 +439,6 @@ Additional fields are:
or all are defined with ``eig0``). In both cases, the parameters are entered in Arrhenius format to
enable representation of their temperature-dependence.

The pressure-dependent aspect of the rate constant can be parameterized in the user's choice of
:ref:`Troe <sec-yaml-falloff>`,
:ref:`pressure-dependent-arrhenius <sec-yaml-pressure-dependent-Arrhenius>`, or
:ref:`Chebyshev <sec-yaml-Chebyshev>` representations. The same parameters used for a standalone
Troe, PLOG, or Chebyshev reaction are then inserted directly below ``eps`` or ``eig0`` for a given collider
(note: Troe cannot be given its own ``efficiencies`` key). At minimum, this treatment must be applied to ``"M"``.
However, additional colliders may also be given their own Troe, PLOG, or Chebyshev
parameterization if so desired. Mixing and matching of types within the same reaction is allowed (e.g., a PLOG
table for ``"M"``, Troe parameters for ``"H2"``, and Chebyshev data for ``"NH3"``).

A mathematical description of this YAML implementation can be found in Eq. 8 of
:cite:t:`singal2024`. [CITATION NOT YET ADDED]

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