Monte Carlo simulation and integral-equation studies of a fluid of charged hard spheres near the critical region
- 1 January 1995
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review E
- Vol. 51 (1) , 289-296
- https://doi.org/10.1103/physreve.51.289
Abstract
A detailed Monte Carlo and integral-equation study of the behavior of the restricted primitive model of electrolytes near the critical region is presented. Our simulation results furnish information concerning cluster formation in the low density–high ionic strength region. Additionally, bridge functions have been extracted from the simulated pair correlation functions by means of an iterative procedure. These ‘‘exact’’ bridge functions have been compared with the results of a recently proposed integral equation [D. M. Duh and A. D.-J. Haymet, J. Chem. Phys. 97, 7716 (1992)], which has been solved using both a Coulombic and an optimized decomposition of the interionic potential.Keywords
This publication has 21 references indexed in Scilit:
- Free energy and phase equilibria for the restricted primitive model of ionic fluids from Monte Carlo simulationsThe Journal of Chemical Physics, 1994
- The story of coulombic critialityJournal of Statistical Physics, 1994
- A Monte Carlo study of the liquid–vapor coexistence of charged hard spheresThe Journal of Chemical Physics, 1994
- Molecular simulation of phase equilibria: simple, ionic and polymeric fluids: Fluid phase equilibria 76 (1992) 97-112Fluid Phase Equilibria, 1994
- Criticality in ionic fluids: Debye-Hückel theory, Bjerrum, and beyondPhysical Review Letters, 1993
- Further investigations into the low-density behaviour of the hypernetted chain equation for ionic fluidsMolecular Physics, 1992
- Thermodynamics and structure of the primitive model near its gas–liquid transitionThe Journal of Chemical Physics, 1991
- Long and short range correlations in an ionic fluid near its critical pointThe Journal of Chemical Physics, 1984
- Liquid-vapour equilibrium in the restricted primitive model for ionic liquidsMolecular Physics, 1983
- Primitive model electrolytes. II. The symmetrical electrolyteThe Journal of Chemical Physics, 1980