diff --git a/doc/sphinx/yaml/reactions.rst b/doc/sphinx/yaml/reactions.rst index b565ffcb8e..4c9945f517 100644 --- a/doc/sphinx/yaml/reactions.rst +++ b/doc/sphinx/yaml/reactions.rst @@ -439,17 +439,20 @@ Additional fields are: ``eig0`` The absolute value of the least negative chemically significant eigenvalue of the master equation for the :math:`i^{th}` collider (when pure), evaluated at - the low-pressure limit, :math:`\Lambda_{0,i}(T)[M]`. This parameter is entered - in modified Arrhenius format to enable consideration of temperature dependence. + the low-pressure limit, :math:`\Lambda_{0,i}(T)[M]`. The user must explicitly + assign an ``eig0`` for ``M``. This parameter is entered in modified Arrhenius + format to enable consideration of temperature dependence. ``efficiency`` The third-body efficiency of the collider relative to that of the reference collider ``M``, defined as :math:`\epsilon_{0,i}(T)=\Lambda_{0,i}(T)/\Lambda_{0,\text{M}}(T)`. The user does not need to assign an ``efficiency`` for ``M``, as it is always - equal to 1 by definition. This parameter is entered in modified Arrhenius format - to enable consideration of temperature dependence. If the user wishes to specify - a temperature-independent value, then ``A`` can be set to this value and ``b`` - and ``Ea`` can be set to 0. + equal to 1 by definition. However, they are free to do so, as long as it takes + the form 'efficiency: {A: 1, b: 0, Ea: 0}' (no other variations are permitted). + This parameter is entered in modified Arrhenius format to enable consideration + of temperature dependence. If the user wishes to specify a + temperature-independent value, then ``A`` can be set to this value and ``b`` and + ``Ea`` can be set to 0 (such as 'H2O: {A: 10, b: 0, Ea: 0}'). A :ref:`Troe ` implementation also requires: ``high-P-rate-constant``, ``low-P-rate-constant``, ``Troe`` (do not use the Troe ``efficiencies`` key). @@ -479,7 +482,7 @@ Examples: *`linear-Burke` rate with PLOG format for the reference collider (Ar)*: - equation: H + O2 (+M) <=> HO2 (+M) + equation: H + O2 (+M) <=> HO2 (+M) # Adding '(+M)' is optional type: linear-Burke colliders: - name: M