Freezing density scaling of fluid transport properties: Application to liquefied noble gases

Abstract

A freezing density scaling of transport properties of the Lennard-Jones fluid is rationalized in terms of the Rosenfeld's excess entropy scaling and isomorph theory of Roskilde-simple systems. Then, it is demonstrated that the freezing density scaling operates reasonably well for viscosity and thermal conductivity coefficients of liquid argon, krypton, and xenon. Quasi-universality of the reduced transport coefficients at their minima and at freezing conditions is discussed. The magnitude of the thermal conductivity coefficient at the freezing point is shown to agree remarkably well with the prediction of the vibrational model of thermal transport in dense fluids.

Fluids meet solids

“…The Journal of Chemical Physics EDITORIAL scitation.org/journal/jcp highlight other reasons why precise knowledge of phase equilibria is relevant. For example, Khrapak and Khrapak 25 show that some transport properties of noble gases scaled with the freezing density adopt quasi-universal values. There are a number of articles in this series that emphasize the growing trend to consider solid-fluid coexistence to test and improve the performance of intermolecular potentials in molecular simulations.…”