Effective Hamiltonian analysis of fluid criticality and application to the square-well fluid

被引:19
作者
Brillantov, NV [1 ]
Valleau, JP
机构
[1] Univ Toronto, Dept Chem, Chem Phys Theory Grp, Toronto, ON M5S 3H6, Canada
[2] Moscow MV Lomonosov State Univ, Dept Phys, Moscow 119899, Russia
关键词
D O I
10.1063/1.475474
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
The critical behavior of fluids is analyzed in terms of an effective Hamiltonian which is obtained by a Hubbard-Schofield transformation that maps the fluid Hamiltonian onto a Wilson-Fisher Ising-type Hamiltonian. Within this approach we find an approximate relation between critical temperature and critical density, depending on the parameters of the interaction potential, and compare it with simulation results. In the framework of the effective Hamiltonian we examine the critical data for the square-well fluid obtained using thermodynamic-scaling Monte Carlo and discuss the impact of finite-size effects on the Monte Carlo studies of the fluid criticality. (C) 1998 American Institute of Physics. [S0021-9606(98)52503-2].
引用
收藏
页码:1123 / 1130
页数:8
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