Simplified exponential approximation for thermodynamics of a hard-core repulsive Yukawa fluid

TL;DR

This paper introduces an exponential approximation method based on FMSA to better predict the structure and thermodynamics of hard-core repulsive Yukawa fluids, especially at low density and temperature where previous models failed.

Contribution

It develops a new exponential enhancement of the FMSA solution, improving accuracy in conditions where earlier theories were inadequate.

Findings

The exponential approximation aligns well with simulation data at low density and temperature.

It significantly improves predictions over the original FMSA theory.

The method enhances understanding of Yukawa fluid thermodynamics.

Abstract

Exponential approximation based on the first order mean spherical approximation (FMSA) is applied to the study of the structure and thermodynamics of hard-core repulsive Yukawa fluids. The proposed theory utilizes an exponential enhancement of the analytical solution of the FMSA due to Tang and Lu [J. Chem. Phys., 1993, 99, 9828] for the radial distribution function. From comparison with computer simulation data we have shown that at low density and low temperature conditions, where original FMSA theory fails, the FMSA-based exponential theory predicts a significant improvement.