EFFICIENCY OF ELECTROCHEMICAL KINETIC SIMULATIONS BY ORTHOGONAL COLLOCATION AND FINITE-DIFFERENCE METHODS - A COMPARISON

The efficiency and reliability of electrochemical kinetic simulations by orthogonal collocation and finite difference methods have been exam ined quantitatively in calculations, using typical examples of homogen eous reaction-diffusion kinetic problems. Orthogonal collocation has b een found to be more efficient than finite difference methods, but a p roper selection of the integrator for ordinary differential equations and a careful choice of method parameters is essential for this. On th e other hand, finite difference methods seem more reliable in problems with discontinuous boundary conditions and homogeneous reactions, esp ecially those of second order.