Temperature Expansions in the Square Shoulder Fluid II: Thermodynamics

TL;DR

This paper derives thermodynamic properties of square-shoulder fluids using analytical methods, focusing on high- and low-temperature regimes and their relation to structural features like the contact values of pair correlations.

Contribution

It provides analytical expressions for thermodynamic properties of square-shoulder fluids across temperature regimes, extending previous structural analyses.

Findings

Relation between large wave number behavior and contact values

Thermoelastic properties characterized in different temperature regimes

Analytical expressions for structure factor and thermodynamics

Abstract

In a companion paper, we derived analytical expressions for the structure factor of the square-shoulder potential in a perturbative way around the high- and low-temperature regimes. Here, various physical properties of these solutions are derived. In particular, we investigate the large wave number sector, and relate it to the contact values of the pair-correlation function. Then, thermoelastic properties of the square-shoulder fluids are discussed.