Modified Entropy Scaling of the Transport Properties of the Lennard-Jones Fluid

Rosenfeld
proposed two different scaling approaches to model the
transport properties of fluids, separated by 22 years, one valid in
the dilute gas, and another in the liquid phase. In this work, we
demonstrate that these two limiting cases can be connected through
the use of a novel approach to scaling transport properties and a
bridging function. This approach, which is empirical and not derived
from theory, is used to generate reference correlations for the transport
properties of the Lennard-Jones 12-6 fluid of viscosity, thermal conductivity,
and self-diffusion. This approach, with a very simple functional form,
allows for the reproduction of the most accurate simulation data to
within nearly their statistical uncertainty. The correlations are
used to confirm that for the Lennard-Jones fluid the appropriately
scaled transport properties are nearly monovariate functions of the
excess entropy from low-density gases into the supercooled phase and
up to extreme temperatures. This study represents the most comprehensive
metastudy of the transport properties of the Lennard-Jones fluid to
date.