Pair correlation function of short-ranged square-well fluids
Abstract
We have performed extensive Monte Carlo simulations in the canonical (NVT) ensemble of the pair correlation function for square-well fluids with well widths ranging from 0.1 to 1.0, in units of the diameter of the particles. For each one of these widths, several densities and temperatures in the ranges and , where is the critical temperature, have been considered. The simulation data are used to examine the performance of two analytical theories in predicting the structure of these fluids: the perturbation theory proposed by Tang and Lu [Y. Tang and B. C.-Y. Lu, J. Chem. Phys. {\bf 100}, 3079, 6665 (1994)] and the non-perturbative model proposed by two of us [S. B. Yuste and A. Santos, J. Chem. Phys. {\bf 101}, 2355 (1994)]. It is observed that both theories complement each other, as the latter theory works well for short ranges and/or moderate densities, while the former theory does for long ranges and high densities.
Keywords
Cite
@article{arxiv.cond-mat/0410702,
title = {Pair correlation function of short-ranged square-well fluids},
author = {J. Largo and J. R. Solana and S. B. Yuste and A. Santos},
journal= {arXiv preprint arXiv:cond-mat/0410702},
year = {2007}
}
Comments
10 pages, 10 figures