COMPARISON BETWEEN DIFFERENT EXPLICIT EXPRESSIONS OF THE EFFECTIVE HARD-SPHERE DIAMETER OF LENNARD-JONES FLUID - APPLICATION TO SELF-DIFFUSION COEFFICIENTS

The effective hard sphere diameter (EHSD) method has been widely used to calculate both equilibrium and transport properties. Various EHSD e xplicit equations have been proposed in the literature according to di fferent criteria. In this work a comparison between different expressi ons has been carried out and suggestions are given following the compa rison. As an example of the applications the EHSD method has been appl ied to the prediction of the selfdiffusion coefficients of the Lennard -Jones fluid, by use of the hard sphere model proposed by Erpenbeck an d Wood. It is found that the temperature-dependent Boltzmann EHSD and both temperature-and density-dependent Lado modified Weeks-Chandler-An dersen EHSD give the best results.