Evaluation of high-frequency elastic moduli and shear relaxation time of the Lennard-Jones fluid using three known analytical expressions for radial distribution function

Abstract

High-frequency elastic moduli ( G ∞ and K ∞) for a Lennard-Jones (LJ) fluid have been calculated using three known analytical expressions for radial distribution function (RDF) at different temperatures and densities and compared with the corresponding values of these properties obtained from molecular dynamics (MD). The shear relaxation time of a LJ fluid at different temperatures and densities has been calculated for three expressions for RDF and using an analytical expression for viscosity and compared with those of obtained MD. The values of reduced shear relaxation time at different reduced temperatures and densities have been fitted to obtain an analytical equation.