The effect of the discretization of the mixed boundary conditions on the numerical stability of the Crank-Nicolson algorithm of electrochemical kinetic simulations

摘要

Mixed boundary conditions with time-dependent coefficients are typical for diffusional initial boundary value problems occurring in electrochemical kinetics. The discretization of such boundary conditions, currently used in connection with the Crank-Nicolson finite difference solution algorithm, is based on the forward difference Gradient approximation, and may in some cases become numerically unstable.