Virial expansions and augmented van der Waals approach: Application to Lennard-Jones-like Yukawa fluid

TL;DR

This paper enhances the virial equation of state by splitting pair interactions to improve accuracy, especially at subcritical temperatures, demonstrated through application to a Lennard-Jones-like Yukawa fluid.

Contribution

It introduces a novel criterion for splitting pair interactions that improves virial coefficient calculations for complex fluids.

Findings

Improved virial coefficients for Lennard-Jones-like Yukawa fluid.

Enhanced accuracy of the virial equation at subcritical temperatures.

Validation of the splitting criterion's effectiveness.

Abstract

We argue that recently proposed [Melnyk et al., Fluid Phase Equilibr., 2009, Vol. 279, 1] a criterion to split the pair interaction energy into two parts, one of which is forced to be responsible the most accurate as possible for excluded volume energy in the system, results in expressions for the virial coefficients that improve the performance of the virial equation of state in general, and at subcritical temperatures, in particular. As an example, application to the Lennard-Jones-like hard-core attractive Yukawa fluid is discussed.