Theoretical approaches to the structural properties of the square-shoulder fluid
Abstract
A comparison of simulation results with the prediction of the structural properties of square-shoulder fluids is carried out to assess the performance of three theories: Tang--Lu's first-order mean spherical approximation, the simplified exponential approximation of the latter and the rational-function approximation. These three theoretical developments share the characteristic of being analytical in Laplace space and of reducing in the proper limit to the Percus--Yevick result for the hard-sphere fluid. Overall, the best agreement with the simulation data is obtained with the simplified exponential approximation.
Keywords
Cite
@article{arxiv.1601.00457,
title = {Theoretical approaches to the structural properties of the square-shoulder fluid},
author = {M. López de Haro and S. B. Yuste and A. Santos},
journal= {arXiv preprint arXiv:1601.00457},
year = {2016}
}
Comments
14 pages, 7 figures; v2: published version. Free online access (first 50 downloads) at http://www.tandfonline.com/eprint/5yrHdniR9766VnXjjKBn/full