Model for the free-volume distributions of equilibrium fluids

TL;DR

This paper presents a molecular simulation-based model that predicts how interparticle interactions and thermodynamic conditions influence the free-volume distributions in equilibrium fluids, highlighting a scaling relationship and effects of attractions.

Contribution

The paper introduces a novel, simple model that links interparticle interactions and thermodynamics to free-volume distributions, including a scaling law and virial coefficient effects.

Findings

Model accurately predicts free-volume distributions across conditions

Scaling relationship for density-dependent behavior identified

Second virial coefficients influence free-volume distributions

Abstract

We introduce and test via molecular simulation a simple model for predicting the manner in which interparticle interactions and thermodynamic conditions impact the single-particle free-volume distributions of equilibrium fluids. The model suggests a scaling relationship for the density-dependent behavior of the hard-sphere system. It also predicts how the second virial coefficients of fluids with short-range attractions affect their free-volume distributions.