THE FREE-ENERGY AND THE CHEMICAL-POTENTIAL OF MOLECULAR FLUIDS

被引：27

作者：

CHEN, XS

FORSTMANN, F

KASCH, M

机构：

[1] Freie Universität Berlin, Institut für Theoretische Physik, 1 Berlin 33

来源：

JOURNAL OF CHEMICAL PHYSICS | 1991年 / 95卷 / 04期

关键词：

D O I：

10.1063/1.460935

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：

Expressions for the Helmholtz free energy and the chemical potential are derived for fluid mixtures with nonspherical interactions. For the important reference hypernetted chain (RHNC) approximation we can derive explicit formulas. We evaluate the free energy formula for a hard sphere dipole system. The results for the Helmholtz free energy agree well with Monte Carlo simulation.

引用

收藏

页码：2832 / 2837

页数：6

相关论文

共 16 条

[1] A LOCAL DENSITY FUNCTIONAL APPROXIMATION FOR THE ION DISTRIBUTION NEAR A CHARGED ELECTRODE IN THE RESTRICTED PRIMITIVE MODEL ELECTROLYTE [J].

ALTS, T ;

NIELABA, P ;

DAGUANNO, B ;

FORSTMANN, F .

CHEMICAL PHYSICS, 1987, 111 (02) :223-240

[2]

[Anonymous], 1984, THEORY MOL FLUIDS

[3] INVARIANT EXPANSION FOR 2-BODY CORRELATIONS - THERMODYNAMIC FUNCTIONS, SCATTERING, AND ORNSTEIN-ZERNIKE EQUATION [J].

BLUM, L ;

TORRUELLA, AJ .

JOURNAL OF CHEMICAL PHYSICS, 1972, 56 (01) :303-+

[4] MONTE-CARLO SIMULATION OF AN ION DIPOLE MIXTURE - A CONVERGENCE STUDY [J].

CAILLOL, JM ;

LEVESQUE, D ;

WEIS, JJ .

MOLECULAR PHYSICS, 1990, 69 (01) :199-208

[5] A METHOD FOR SOLVING THE HYPERNETTED-CHAIN APPROXIMATION FOR MOLECULAR FLUIDS [J].

CAILLOL, JM .

CHEMICAL PHYSICS LETTERS, 1985, 121 (4-5) :347-350

[6] A METHOD FOR SOLVING THE HYPERNETTED-CHAIN APPROXIMATION FOR MOLECULAR FLUIDS [J].

CAILLOL, JM .

CHEMICAL PHYSICS LETTERS, 1989, 156 (04) :357-362

[7] A THEORETICAL-STUDY OF THE SOLID ELECTROLYTE SOLUTION INTERFACE .1. STRUCTURE OF A HARD-SPHERE ION DIPOLE MIXTURE NEAR AN UNCHARGED HARD-WALL [J].

DONG, W ;

ROSINBERG, ML ;

PERERA, A ;

PATEY, GN .

JOURNAL OF CHEMICAL PHYSICS, 1988, 89 (08) :4994-5009

[8] THE SOLUTION OF THE HYPERNETTED-CHAIN APPROXIMATION FOR FLUIDS OF NONSPHERICAL PARTICLES - A GENERAL-METHOD WITH APPLICATION TO DIPOLAR HARD-SPHERES [J].

FRIES, PH ;

PATEY, GN .

JOURNAL OF CHEMICAL PHYSICS, 1985, 82 (01) :429-440

[9] THERMODYNAMICS OF MSA FOR SIMPLE FLUIDS [J].

HOYE, JS ;

STELL, G .

JOURNAL OF CHEMICAL PHYSICS, 1977, 67 (02) :439-445

[10] FREE-ENERGY IN THE STATISTICAL-THEORY OF FLUIDS [J].

KISELYOV, OE ;

MARTYNOV, GA .

JOURNAL OF CHEMICAL PHYSICS, 1990, 93 (03) :1942-1947