4.7 Article

Cyclic voltammetric response of homogeneous catalysis of electrochemical reaction. Part 3: A theoretical and numerical approach for one-electron two- step reaction scheme

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ELSEVIER SCIENCE SA
DOI: 10.1016/j.jelechem.2022.116706

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Mathematical modelling; Cyclic voltammetry; Homogeneous catalysis; Turn over frequency; One-electron two-step reaction scheme

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This paper discusses a theoretical model for homogeneous redox catalysis of electrochemical reactions, which is described by a system of nonlinear time dependent partial differential equations. The model calculates the species concentration, current-voltage, and turnover frequency curves under transient conditions, and the results are in good agreement with previous findings. The effect of two rate constants and the initial concentration of the substrate on current and turnover frequency is also discussed.
A theoretical model for homogeneous redox catalysis of electrochemical reactions for the one-electron two-step reaction scheme is discussed. This model is described by the system of nonlinear time dependent partial differ-ential equations for which the nonlinear term is related to a homogeneous reaction. The species concentration, current-voltage and turnover frequency curves for the transient condition have been calculated by solving the equations using a new analytical method. The current response and turnover frequency predicted under steady-state conditions when t ! 1 are in good agreement with earlier results, proving the validity of the mathemat-ical analysis. The effect of two rate constants and initial concentration of substrate on current and turn over frequency is discussed. Our analytical results for concentration are compared with numerical (MATLAB) results, and good agreement is noted.

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