[Doc] Add description of sticking reaction parameterization

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Ray Speth 2016-05-11 14:45:36 -04:00
parent 77e6f9c0d0
commit 248874de83

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@ -456,6 +456,37 @@ used::
coverage=[['H(S)', a_1, m_1, E_1],
['PT(S)', a_2, m_2, E_2]]))
Sticking Coefficients
---------------------
Collisions between gas-phase molecules and surfaces which result in the gas-
phase molecule sticking to the surface can be described as a reaction which is
parameterized by a sticking coefficient:
.. math::
\gamma = a T^b e^{-c/RT}
where :math:`a`, :math:`b`, and :math:`c` are constants specific to the
reaction. The values of these constants must be specified so that the sticking
coefficient :math:`\gamma` is between 0 and 1 for all temperatures.
The sticking coefficient is related to the forward rate constant by the
formula:
.. math::
k_f = \frac{\gamma}{\Gamma_\mathrm{tot}^m} \sqrt{\frac{RT}{2 \pi W}}
where :math:`\Gamma_\mathrm{tot}` is the total molar site density, :math:`m` is
the sum of all the surface reactant stoichiometric coefficients, and :math:`W`
is the molecular weight of the gas phase species.
A reaction of this form can be written as::
surface_reaction("H2O + PT(S) => H2O(S)", stick(a, b, c))
Additional Options
==================