The bridge function of a Lennard-Jones fluid calculated from a second-order Percus-Yevick equation

被引:22
作者
Henderson, D
Sokolowski, S
机构
[1] MARIE CURIE SKLODOWSKA UNIV,FAC CHEM,COMP LAB,PL-20031 LUBLIN,POLAND
[2] UNIV AUTONOMA METROPOLITANA IZTAPALAPA,DEPT FIS,MEXICO CITY 09340,DF,MEXICO
关键词
D O I
10.1063/1.471118
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
Following Attard, we obtain a second-order Percus-Yevick equation from the theory of inhomogeneous fluids. Although we calculate the radial distribution function and thermodynamic functions, our main interest is in the calculation of the bridge function, a part of the radial distribution function either not included or simply approximated in the usual theories. A comparison is made with simulation results for the bridge function, correlation functions, and thermodynamic functions for the Lennard-Jones fluid with good results. A comparison is also made with recent binodal chain approximation results. (C) 1996 American Institute of Physics.
引用
收藏
页码:2971 / 2975
页数:5
相关论文
共 36 条
[1]   HYPERNETTED-CHAIN CLOSURE WITH BRIDGE DIAGRAMS - ASYMMETRIC HARD-SPHERE MIXTURES [J].
ATTARD, P ;
PATEY, GN .
JOURNAL OF CHEMICAL PHYSICS, 1990, 92 (08) :4970-4982
[2]   SPHERICALLY INHOMOGENEOUS FLUIDS .1. PERCUS-YEVICK HARD-SPHERES - OSMOTIC COEFFICIENTS AND TRIPLET CORRELATIONS [J].
ATTARD, P .
JOURNAL OF CHEMICAL PHYSICS, 1989, 91 (05) :3072-3082
[3]   LENNARD-JONES BRIDGE FUNCTIONS AND TRIPLET CORRELATION-FUNCTIONS [J].
ATTARD, P .
JOURNAL OF CHEMICAL PHYSICS, 1991, 95 (06) :4471-4480
[4]   CORRECTIONS TO THE HNC EQUATION FOR ASSOCIATING ELECTROLYTES [J].
BACQUET, R ;
ROSSKY, PJ .
JOURNAL OF CHEMICAL PHYSICS, 1983, 79 (03) :1419-1426
[5]   RESTRICTED PRIMITIVE MODEL FOR ELECTRICAL DOUBLE-LAYERS - MODIFIED HNC THEORY OF DENSITY PROFILES AND MONTE-CARLO STUDY OF DIFFERENTIAL CAPACITANCE [J].
BALLONE, P ;
PASTORE, G ;
TOSI, MP .
JOURNAL OF CHEMICAL PHYSICS, 1986, 85 (05) :2943-2950
[6]   INTEGRAL-EQUATION THEORY FOR UNCHARGED LIQUIDS - THE LENNARD-JONES FLUID AND THE BRIDGE FUNCTION [J].
DUH, DM ;
HAYMET, ADJ .
JOURNAL OF CHEMICAL PHYSICS, 1995, 103 (07) :2625-2633
[7]   A TRIPLET CORRELATION-FUNCTION FOR LENNARD-JONES FLUIDS [J].
FUSHIKI, M .
MOLECULAR PHYSICS, 1991, 74 (02) :307-319
[8]   DISTRIBUTION FUNCTIONS OF MULTI-COMPONENT FLUID MIXTURES OF HARD SPHERES [J].
GRUNDKE, EW ;
HENDERSON, D .
MOLECULAR PHYSICS, 1972, 24 (02) :269-+
[9]   DIRECT CORRELATION-FUNCTION - HARD-SPHERE FLUID [J].
HENDERSON, D ;
GRUNDKE, EW .
JOURNAL OF CHEMICAL PHYSICS, 1975, 63 (02) :601-607
[10]   THE DIRECT CORRELATION-FUNCTIONS AND BRIDGE FUNCTIONS FOR HARD-SPHERES NEAR A LARGE HARD-SPHERE [J].
HENDERSON, D ;
CHAN, KY ;
DEGREVE, L .
JOURNAL OF CHEMICAL PHYSICS, 1994, 101 (08) :6975-6978