作者
Gerassimos Orkoulas, Athanassios Z Panagiotopoulos
发表日期
1994/7/15
期刊
The Journal of chemical physics
卷号
101
期号
2
页码范围
1452-1459
出版商
AIP Publishing
简介
In this work, we investigate the liquid-vapor phase transition of the restricted primitive model of ionic fluids. We show that at the low temperatures where the phase transition occurs, the system cannot be studied by conventional molecular simulation methods because convergence to equilibrium is slow. To accelerate convergence, we propose cluster Monte Carlo moves capable of moving more than one particle at a time. We then address the issue of charged particle transfers in grand canonical and Gibbs ensemble Monte Carlo simulations, for which we propose a biased particle insertion/destruction scheme capable of sampling short interparticle distances. We comp~ te the chemical potential for the restricted primitive model as a function of temperature and denSity from grand canonical Monte Carlo simulations and the phase envelope from Gibbs Monte Carlo simulations. Our calculated phase coexistence curve …
引用总数
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