Thermodynamics and diffusion of a lattice gas on a simple cubic lattice.

Abstract

A lattice gas model with nearest neighbor attractive interactions on a simple cubic lattice is considered. The method of nonequilibrium statistical ensembles due to Zubarev is used to derive expressions for jump and chemical diffusion coefficients. For thermally activated hopping dynamics in the hydrodynamical (low frequency, long wavelength) limit, and neglecting specific memory effects, these expressions are represented in a simple form in terms of the zero concentration limit of the chemical diffusion coefficient and equilibrium characteristics, i.e., the chemical potential, and the probability for two nearest neighbor sites to be vacant. These equilibrium characteristics are calculated by means of the self-consistent diagram approximation. The equilibrium characteristics and diffusion coefficients are in a good agreement with extensive Monte Carlo simulation results.