A MONTE-CARLO STUDY OF THE COEXISTENCE REGION OF THE RESTRICTED PRIMITIVE MODEL

被引:47
作者
GRAHAM, IS [1 ]
VALLEAU, JP [1 ]
机构
[1] UNIV TORONTO,DEPT CHEM,CHEM PHYS THEORY GRP,TORONTO M5S 1A1,ONTARIO,CANADA
关键词
D O I
10.1021/j100383a029
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
We report on a Monte Carlo study of the restricted primitive model in the low-temperature low-density region believed to contain the critical point of a first-order phase transition. Using two Monte Carlo techniques, grand canonical Monte Carlo and temperature scaling Monte Carlo, we construct a map of the free energy surface as a function of temperature and density over an extensive range of temperature and density. Our results indicate the existence of a phase transition and allow us to obtain some bounds on the location of the critical point. These results allow us to evaluate various predictions about the location of the transition. © 1990 American Chemical Society.
引用
收藏
页码:7894 / 7898
页数:5
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