ELECTROCHEMICAL KINETIC SIMULATIONS OF MIXED DIFFUSION HOMOGENEOUS REACTION PROBLEMS BY THE SAULYEV FINITE-DIFFERENCE ALGORITHMS

The validity of the Saul'yev finite difference integration schemes for the simulation of electrokinetic diffusion/homogeneous reaction problems has been investigated. Respective algorithms have been formulated for typical examples involving first and second order homogeneous reactions. Their numerical properties have been examined in calculations and compared with those of the classic explicit, second order Runge-Kutta and Crank-Nicolson methods. The averaged [LR,RL] Saul'yev algorithm has been found to be especially attractive, showing efficiency comparable with the Crank-Nicolson method but at lower programming effort. The general, method-oriented formulation of Saul'yev algorithms is also presented.