GENERALIZED MEAN FIELD-THEORY OF MOLECULAR LIQUIDS .2. THERMODYNAMIC PROPERTIES

被引:19
作者
GRAY, CG
HENDERSON, RL
机构
关键词
D O I
10.1139/p79-224
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
The generalized mean field (GMF) theory for the angular pair correlation function g(r omega //1 omega //2) for a molecular field is applied to the calculation of the fluid thermodynamic properties. Explicit expressions are derived for the contribution of the anisotropic intermolecular forces to the free energy, energy, and pressure of the fluid. Numerical results are presented for a fluid with Lennard-Jones plus quadrupole-quadrupole interaction, and are compared to computer simulation and to perturbation theory (Pade) results.
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页码:1605 / 1613
页数:9
相关论文
共 19 条
[1]  
ADELMAN SA, 1975, ADV CHEM PHYS, V31, P103
[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]  
EGELSTAFF PA, 1975, INT REV SCI 2, V2
[5]   PERTURBATION THEORY FOR ANGULAR PAIR CORRELATION FUNCTION IN MOLECULAR FLUIDS [J].
GUBBINS, KE ;
GRAY, CG .
MOLECULAR PHYSICS, 1972, 23 (01) :187-&
[6]  
HANSEN JP, 1976, THEORY SIMPLE LIQUID, P112
[7]   PERTURBATION-THEORY OF PAIR CORRELATION-FUNCTION IN MOLECULAR FLUIDS [J].
HENDERSON, RL ;
GRAY, CG .
CANADIAN JOURNAL OF PHYSICS, 1978, 56 (05) :571-580
[8]   GENERALIZED MEAN SPHERICAL APPROXIMATIONS FOR POLAR AND IONIC FLUIDS [J].
HOYE, JS ;
LEBOWITZ, JL ;
STELL, G .
JOURNAL OF CHEMICAL PHYSICS, 1974, 61 (08) :3253-3260
[9]   PERTURBATION CORRECTION FOR FREE-ENERGY AND STRUCTURE OF SIMPLE FLUIDS [J].
LADO, F .
PHYSICAL REVIEW A, 1973, 8 (05) :2548-2552
[10]   EVALUATION OF A NEW SELF-CONSISTENT APPROXIMATION FOR AN IONIC FLUID [J].
LARSEN, B ;
STELL, G ;
WU, KC .
JOURNAL OF CHEMICAL PHYSICS, 1977, 67 (02) :530-536