Chemical diffusion in an interacting lattice gas: Analytic theory and simple applications

Zbigniew W. Gortel and Magdalena A. Załuska-Kotur

A variational approach to microscopic kinetics of an interacting lattice gas is presented. It accounts for the equilibrium correlations in the system and allows one to derive an algebraic expression for the particle density (coverage) dependent chemical diffusion coefficient for a wide variety of interaction models. Detailed derivation is presented for a one dimensional case for which the results are compared with the results of Monte Carlo simulations. Generalization and an application to the simplest case of the two dimensional lattice gas is briefly described.

Phys. Rev. B 70, 125431 (2004)