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 $\lambda -1$ ranging from 0.1 to 1.0, in units of the diameter $\sigma$ of the particles. For each one of these widths, several densities $\rho$ and temperatures $T$ in the ranges $0.1\le \rho {\sigma }^3\le 0.8$ and $T_c(\lambda )\lesssim T\lesssim 3T_c(\lambda )$, where $T_c(\lambda )$ 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.

10 pages, 10 figures

References in corpus (5)

• Higher order glass-transition singularities in colloidal systems with attractive interactions
• Mechanical Properties of a Model of Attractive Colloidal Solutions
• A square-well model for the structural and thermodynamic properties of simple colloidal systems
• Heat capacity of square-well fluids of variable width
• The Hierarchical Reference Theory as applied to square well fluids of variable range

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• Tunneling conductivity in composites of attractive colloids
• A fundamental measure theory for the sticky hard sphere fluid
• An investigation of the SCOZA for narrow square-well potentials and in the sticky limit
• Algebraic perturbation theory for dense liquids with discrete potentials
• Generalized Coupling Parameter Expansion: Application to Square-Well and Lennard Jones Fluids
• Theoretical approaches to the structural properties of the square-shoulder fluid
• Evolutionary optimization of the Verlet closure relation for the hard-sphere and square-well fluids
• Transport properties of the square-well fluid from molecular dynamics simulation
• Conditional pair distributions in many-body systems: Exact results for Poisson ensembles