Make Arrheniusq Kinetics Compatible With PCET Reactions #265
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The
arrheniusq
type kinetics currently does not have reference potential (V0
) as a parameter and thus assumesphi
is always measured with respect to SHE. Some electrochemical processes may have different reference potentials such as SCE and Ag/AgCl, and sometimes the reference is defined as the thermal neutral potential.Interface reactions such as proton-coupled electron transfer (PCET) also lack a definition for
phi
so their kinetics are currently always evaluated at zero potential. Here we assumephi
is defined by the applied potential at the surface, with negative values as reduction reactions and positive values as oxidation reactions. The Gibbs free energies now also change with applied potentials so they now have an effect on the equilibrium constant.