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

Abstract

• Homogeneous molecular catalysis of electrochemical reactions for the one-electron two-step reaction scheme is discussed. • The exact expression of species concentrations, current-voltage and turnover frequency is derived. • The effect of the intrinsic and operational parameters on current and turnover frequency is analysed. 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 differential 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 → ∞ are in good agreement with earlier results, proving the validity of the mathematical 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.