Virial coefficients, thermodynamic properties, and fluid-fluid transition of nonadditive hard-sphere mixtures

被引:19
|
作者
Santos, Andres [1 ]
Lopez de Haro, Mariano [1 ]
Yuste, Santos B. [1 ]
机构
[1] Univ Extremadura, Dept Fis, E-06071 Badajoz, Spain
来源
JOURNAL OF CHEMICAL PHYSICS | 2010年 / 132卷 / 20期
关键词
compressibility; equations of state; free energy; liquid-liquid transformations; Monte Carlo methods; EQUATION-OF-STATE; BINARY-MIXTURES; PHASE-BEHAVIOR; MODEL;
D O I
10.1063/1.3429600
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
Different theoretical approaches for the thermodynamic properties and the equation of state for multicomponent mixtures of nonadditive hard spheres in d dimensions are presented in a unified way. These include the theory by Hamad, our previous formulation, the original MIX1 theory, a recently proposed modified MIX1 theory, as well as a nonlinear extension of the MIX1 theory proposed in this paper. Explicit expressions for the compressibility factor, Helmholtz free energy, and second, third, and fourth virial coefficients are provided. A comparison is carried out with recent Monte Carlo data for the virial coefficients of asymmetric mixtures and with available simulation data for the compressibility factor, the critical consolute point, and the liquid-liquid coexistence curves. The merits and limitations of each theory are pointed out. (C) 2010 American Institute of Physics. [doi: 10.1063/1.3429600]
引用
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页数:12
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