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Electrochemistry studies reduction-oxidation reactions, or reactions that involve transfer of an electron, with a particular emphasis on the reactions occurring at the interface between the electrode and the solution. Multiple electrochemical techniques can provide valuable insight into the thermodynamic properties of analytes and their chemical mechanisms. Extensive efforts have been invested into developing a quantitative description of the dynamics of electron transfer and ensuing mass transport where the analyte itself can undergo direct reduction/oxidation on the surface of the electrode. However, more complex cases where a redox-active analyte requires one or more redox-active mediators to transfer an electron to/from the electrode received less attention. Additional complexity may arise from the kinetic limitations of such multi-step reactions and the inherent nature of electrochemistry: it relies on the detection of electric currents, which report on the rate of a chemical process, while often focusing on the thermodynamic properties of the analyte, which represents equilibrium conditions. This conundrum requires a balance between detectability (fast processes) and accuracy (slow processes). Therefore, in most cases electrochemical studies are conducted under pre-equilibrium conditions.

KinESim: Pre-equilibrium kinetic simulation of electrochemical reactions