Density scaling of generalized Lennard-Jones fluids in different dimensions

TL;DR

This paper investigates the density scaling behavior of generalized Lennard-Jones fluids across different dimensions, proposing a simple predictive scheme that aligns well with simulation results in various fluid phases.

Contribution

It introduces a new scheme to predict the virial-potential energy correlation coefficient and density-scaling exponent for Lennard-Jones fluids in multiple dimensions.

Findings

The scheme accurately predicts correlation coefficients in a wide fluid phase range.

It aligns well with molecular dynamics simulations in dimensions 1 to 4.

The scheme is exact in dilute gas and high-dimensional limits.

Abstract

Liquids displaying strong virial-potential energy correlations conform to an approximate density scaling of their structural and dynamical observables. This scaling property does not extend to the entire phase diagram, in general. The validity of the scaling can be quantified by a correlation coefficient. In this work a simple scheme to predict the correlation coefficient and the density-scaling exponent is presented. Although this scheme is exact only in the dilute gas regime or in high dimension d, a comparison with results from molecular dynamics simulations in d = 1 to 4 shows that it reproduces well the behavior of generalized Lennard-Jones systems in a large portion of the fluid phase.