Computer simulation of electrochemical processes on interfaces

Abstract

The basic problems of computer simulation of mass and charge transfer in electrochemical processes such as electrocrystallisation and corrosion of metals are analysed. Three main approaches to the simulation of electrochemical problems are considered: the Ising (lattice gas) model, molecular dynamics (MD) and Monte Carlo (MC) methods. The principal equations used in simulation techniques and examples of the simulation of particular systems are presented. The bibliography includes 136 references.