Current, I am simulating the OPR for irreversible biochemical reactions. The reactions mainly include the processes of nitrification, denitrification, carbon oxidized by oxygen and so on. I noticed that lots of reference use Nernst Equation to solve the ORP, but I tired this method for about half a month and still do not get the results that are well matched with the experimental data.
It is also said that Nernst Equation is only suitable for equilibrium reactions. Does someone who familiar with the ORP calculation can provide some advices and recommend a method for irreversible kinetic reactions. If Butler-Volmer equation is suitable for my situation?
Yes you can use“Butler-Volmer equation”. Here we argue that the Butler-Volmer equation is unsuited to PEMFC kinetics and offers no advantages over simpler empirical approaches
Redox potential is measured in volts (V), or millivolts (mV). Each species has its own intrinsic redox potential; for example, the more positive the reduction potential (reduction potential is more often used due to general formalism in electrochemistry), the greater the species' affinity for electrons and tendency to be reduced. ORP can reflect the antimicrobial potential of the water.
Empirical models, linear reversible kinetics for irreversible kinetics for the oxygen reduction reaction (ORR), avoiding superfluous parameterization in the Butler-Volmer equation. Reduction of empiricism requires more mechanistically detailed models than the Butler-Volmer equation. You can emphasize that incorrectly formulated kinetic equations risk generating incorrect data or misleading conclusions.
Mathematically, by “Butler-Volmer equation” we mean:
i=i0(exp(βfη)−exp(−αfη))
η=E−Eeq
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