Simulation of edge effects in electroanalytical experiments by orthogonal collocation. Part 2. Theory for cyclic voltammetry

Abstract

We showed in this paper the use of two-dimensional collocation to spatially discretize partial differential equations describing a model of cyclic voltammetric experiments under the influence of edge effects. The formal similarity of discretized equations for even very complicated mechanisms has been demonstrated by considering the oxidation scheme of phenol I. This similarity simplifies the writing and testing of computer programs used to calculate numerical simulation results. In fact, a change in mechanism normally only requires the exchange of a few FORTRAN statements while the main body of the program is untouched. We see this as one of the great advantages of our method which outweighs the difficulties encountered while assessing the features and behavior of a new type of a model, as this two-dimensional one. A thorough discussion of the numerical results for cyclic voltammetry simulations is given in part 4.