Computer simulation of a square scheme with reversible and irreversible charge transfer by the network method

Abstract

Digital simulation of the square scheme in cyclic voltammetry has been carried out by the network method. A network model for this mechanism, with or without cross-reaction and with reversible or irreversible charge transfer, is proposed. Results obtained using uniform or quasi-uniform grids are compared with those obtained by other methods using exponential grids. It is shown that the network method is accurate and efficient over all kinetic domains of interest, without increases in CPU time, and it is not necessary to consider either numerical- or programming aspects. The influence of the second-order cross-reaction on the cyclic voltammograms has also been examined for reversible and irreversible charge transfers.