A REAL FUNCTION REPRESENTATION FOR THE STRUCTURE OF THE HARD-SPHERE FLUID

被引:101
作者
CHANG, J
SANDLER, SI
机构
[1] Center for Molecular and Engineering Thermodynamics, Department of Chemical Engineering, University of Delaware, Newark, DE
基金
美国国家科学基金会;
关键词
D O I
10.1080/00268979400100491
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
We present an analytic expression containing no imaginary terms for the radial distribution function of hard spheres in the Percus-Yevick approximation up to the distance of 4sigma (though extendable beyond that), where sigma is the hard-sphere diameter. It is shown that a third-order recursive ordinary differential equation for the total correlation function of the hard-sphere fluid can be derived from the Percus Yevick integral equation using Baxter's factorization method. We have solved this differential equation with its boundary conditions and obtained a result which is equivalent to that obtained by Smith and Henderson, but which contains only real functions. This result is useful in perturbation theories where the evaluation of integrals involving the radial distribution function is required since the expressions presented here are now integrable.
引用
收藏
页码:735 / 744
页数:10
相关论文
共 15 条
[1]   PERTURBATION THEORY AND EQUATION OF STATE FOR FLUIDS - SQUARE-WELL POTENTIAL [J].
BARKER, JA ;
HENDERSON, D .
JOURNAL OF CHEMICAL PHYSICS, 1967, 47 (08) :2856-+
[2]   ORNSTEIN-ZERNIKE RELATION FOR A DISORDERED FLUID [J].
BAXTER, RJ .
AUSTRALIAN JOURNAL OF PHYSICS, 1968, 21 (05) :563-&
[3]   PERCUS-YEVICK THEORY OF CORRELATION-FUNCTIONS AND NUCLEATION EFFECTS IN STICKY HARD-SPHERE MODEL [J].
CUMMINGS, PT ;
PERRAM, JW ;
SMITH, ER .
MOLECULAR PHYSICS, 1976, 31 (02) :535-548
[4]   PROPERTIES OF THE SQUARE-WELL FLUID OF VARIABLE WIDTH .1. SHORT-RANGE EXPANSION [J].
DELRIO, F ;
LIRA, L .
MOLECULAR PHYSICS, 1987, 61 (02) :275-292
[5]   CALCULATION OF THE HARD-SPHERE RADIAL-DISTRIBUTION FUNCTION [J].
GOODWIN, SP ;
BOUGHEY, JD ;
HERITAGE, JR .
MOLECULAR PHYSICS, 1992, 75 (04) :917-923
[7]   THE GENERALIZED VANDERWAALS PARTITION-FUNCTION .2. APPLICATION TO THE SQUARE-WELL FLUID [J].
LEE, KH ;
LOMBARDO, M ;
SANDLER, SI .
FLUID PHASE EQUILIBRIA, 1985, 21 (03) :177-196
[8]   NUMERICAL SOLUTIONS OF PERCUS-YEVICK EQUATION FOR LENNARD-JONES (6-12) AND HARD-SPHERE POTENTIALS [J].
MANDEL, F ;
BEARMAN, RJ ;
BEARMAN, MY .
JOURNAL OF CHEMICAL PHYSICS, 1970, 52 (07) :3315-&
[9]   HARD-SPHERE CORRELATION-FUNCTIONS IN PERCUS-YEVICK APPROXIMATION [J].
PERRAM, JW .
MOLECULAR PHYSICS, 1975, 30 (05) :1505-1509
[10]  
SANDLER SI, 1985, FLUID PHASE EQUILIBR, V19, P233, DOI 10.1016/0378-3812(85)87019-9