Diffusion time-scale invariance, randomization processes, and memory effects in Lennard-Jones liquids

Abstract

An approach for calculating transport properties based on the realization of idea of time-scale invariance of relaxation processes in liquids by Zwanzig-Mori memory function formalism was discussed. The approach was tested on Lennard-Jones (LJ) liquids. The diffusion coefficients of LJ liquids were calculated for a wide range of densities and temperatures. The results obtained were compared with the predictions of other theories and the molecular dynamics data.