Use of dynamically adaptive grid techniques for the solution of electrochemical kinetic equations: Part 3. An adaptive moving grid—adaptive time step strategy for problems with discontinuous boundary conditions at the electrodes

Abstract

The finite-difference adaptive moving grid strategy suggested in Parts 1 and 2 for the solution of electrochemical kinetic one-dimensional partial differential equations has been further extended to allow temporal grid adaptation as well as time-stepping across discontinuities in boundary conditions. This extension aims at the development of a general simulation algorithm, capable of a largely automatic solution of a variety of kinetic problems. The validity of the strategy developed has been tested on three examples of the modelling of electrochemical transients: square-wave-controlled potential transient in pure diffusion conditions, potential-step transient for the catalytic electrode reaction mechanism with a fast homogeneous reaction and linear potential scan voltammetric transient for an electrode reaction accompanied by a fast follow-up homogeneous dimerization reaction.