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7.2.1 Surface Coverage Reaction Rate Modification

ANSYS FLUENT has the option to modify the surface reaction rate as a function of species site coverages. In such cases, the forward rate constant for the $r$th reaction is evaluated as,


 k_{f,r}= A_r T^{\beta_r} e^{-E_r/RT} \prod_{k_{site}} \lef... ...{\mu_{k,r}} \right) \left(e^{-\epsilon_{k,r} Z_k/RT} \right) (7.2-7)

In Equation  7.2-7, the three surface coverage rate modification parameters for specie $k$ in reaction $r$ are $\eta_{k,r}$, $\mu_{k,r}$ and $\epsilon_{k,r}$. These parameters default to zero for reaction species that are not surface rate modifying. The surface (coverage) site fraction, $Z_k$ is the fraction of surface sites covered by specie $k$, and is defined as,


 Z_k = [S_k] / \rho_{site} (7.2-8)

where $[S_k]$ is the surface site concentration and $\rho_{site}$ is the surface site density (see Equation  7.2-13).


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