Transport properties of dense fluid argon

TL;DR

This paper uses molecular dynamics simulations to study the transport properties of dense fluid argon at high pressures and temperatures, critically evaluating theoretical models and experimental data.

Contribution

It provides a comprehensive analysis of argon's transport properties at extreme conditions and assesses the relevance of different Enskog theory adaptations.

Findings

Simulation results for diffusion coefficients and thermal conductivity.

Critical evaluation of theoretical predictions against simulation and experimental data.

Insights into the applicability of Enskog theory to dense fluids.

Abstract

We calculate using molecular dynamics simulations the transport properties of realistically modeled fluid argon at pressures up to $\simeq 50GPa$ and temperatures up to $3000K$. In this context we provide a critique of some newer theoretical predictions for the diffusion coefficients of liquids and a discussion of the Enskog theory relevance under two different adaptations: modified Enskog theory (MET) and effective diameter Enskog theory. We also analyze a number of experimental data for the thermal conductivity of monoatomic and small diatomic dense fluids.