Transport properties in the zero order gaussian memory function approximation with phase integrals evaluated from Monte Carlo calculations

Abstract

A gaussian approximation to the zero order memory function is used to predict diffusion coefficient, viscosity and thermal conductivity of a pure Lennard-Jones fluid over a large region of states. Equilibrium integrals over the pair and triplet correlation functions are evaluated by Monte Carlo simulations. The results are qualitatively reasonable, but differ in detail from computer experiments and argon data. Various other approximations are also discussed.