English

Pair correlation function of short-ranged square-well fluids

Statistical Mechanics 2007-05-23 v1 Soft Condensed Matter Chemical Physics

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 λ1\lambda-1 ranging from 0.1 to 1.0, in units of the diameter σ\sigma of the particles. For each one of these widths, several densities ρ\rho and temperatures TT in the ranges 0.1ρσ30.80.1\leq\rho\sigma^3\leq 0.8 and Tc(λ)T3Tc(λ)T_c(\lambda)\lesssim T\lesssim 3T_c(\lambda), where Tc(λ)T_c(\lambda) 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