An improved potential for Ne–Ar

Abstract

Literature interatomic potentials for the Ne–Ar system are analyzed and critically assessed as to their abilities to predict dilute gas bulk (second virial and transport coefficients) and microscopic properties (differential and total collision cross sections). One potential determined by Ng et al. gives a good description of the Ne–Ar interaction. But it does not accurately predict some of the newer data presented in the literature since its development. The other potentials give an inadequate description of the Ne–Ar interaction. An improved potential of the HFD form with individually damped dispersion terms is presented which accurately predicts a wide range of properties.