Theory and computer simulation of the coordination number of square-well fluids of variable width

被引：30

作者：

Largo, J ^{[1
]}

Solana, JR ^{[1
]}

机构：

[1] Univ Cantabria, Dept Fis Aplicada, E-39005 Santander, Spain

来源：

FLUID PHASE EQUILIBRIA | 2002年 / 193卷 / 1-2期

关键词：

theory; computer simulation; coordination number model; quasi-chemical approximation; statistical mechanics;

D O I：

10.1016/S0378-3812(01)00744-0

中图分类号：

O414.1 [热力学];

学科分类号：

摘要：

Computer simulations have been performed to determine the coordination number of square-well (SW) fluids for wide ranges of densities, temperatures, and potential widths. These data are used to test the performance of a new coordination number model derived on the basis of the quasi-chemical approximation. The model presents a considerable improvement over other previously reported theoretical models based on similar grounds. (C) 2002 Elsevier Science B.V. All rights reserved.

引用

页码：277 / 287

页数：11

共 15 条

[1]

[Anonymous], MOL THEORY GASES LIQ

[2] PERTURBATION THEORY AND EQUATION OF STATE FOR FLUIDS - SQUARE-WELL POTENTIAL [J].

BARKER, JA ;

HENDERSON, D .

JOURNAL OF CHEMICAL PHYSICS, 1967, 47 (08) :2856-+

[3]

BRAVOYUSTE S, 1996, PHYS REV E, V53, P4820

[4] Integral equation theory description of phase equilibria in classical fluids [J].

Caccamo, C .

PHYSICS REPORTS-REVIEW SECTION OF PHYSICS LETTERS, 1996, 274 (1-2) :1-105

[5] A REAL FUNCTION REPRESENTATION FOR THE STRUCTURE OF THE HARD-SPHERE FLUID [J].

CHANG, J ;

SANDLER, SI .

MOLECULAR PHYSICS, 1994, 81 (03) :735-744

[6] EQUATIONS OF STATE FOR PURE AND MIXTURE SQUARE-WELL FLUIDS .1. COORDINATION-NUMBER MODELS [J].

GUO, MX ;

WANG, WC ;

LU, HZ .

FLUID PHASE EQUILIBRIA, 1990, 60 (1-2) :37-45

[7] COORDINATION-NUMBER AND EQUATION OF STATE OF SQUARE-WELL AND SQUARE-SHOULDER FLUIDS - SIMULATION AND QUASI-CHEMICAL MODEL [J].

HEYES, DM .

JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS, 1991, 87 (20) :3373-3377

[8] 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

[9] THE GENERALIZED VANDERWAALS PARTITION-FUNCTION .3. LOCAL COMPOSITION MODELS FOR A MIXTURE OF EQUAL SIZE SQUARE-WELL MOLECULES [J].

LEE, KH ;

SANDLER, SI ;

PATEL, NC .

FLUID PHASE EQUILIBRIA, 1986, 25 (01) :31-49

[10] EQUATION OF STATE FOR SQUARE-WELL FLUIDS [J].

LEE, RJ ;

CHAO, KC .

MOLECULAR PHYSICS, 1988, 65 (05) :1253-1256

← 1 2 →