Integral equation study of the square-well fluid for varying attraction range

被引：15

作者：

El Mendoub, E. B. ^{[2
]}

Wax, J. -F. ^{[2
]}

Charpentier, I. ^{[3
]}

Jakse, N. ^{[1
]}

机构：

[1] PHELMA Grenoble INP, UMR CNRS 5266, Lab Sci Ingn Mat & Procedes SIMAP, St Martin Dheres, France

[2] Univ Paul Verlaine Metz, Lab Phys Mat Dense, Metz, France

[3] UMR CNRS 7554, Lab Phys Mecan Mat, Metz, France

来源：

MOLECULAR PHYSICS | 2008年 / 106卷 / 24期

关键词：

integral equations; square-well fluid; liquid-vapour coexistence; colloids;

D O I：

10.1080/00268970802603499

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：

In the present work, the properties of the square-well fluid (SW) for varying attraction range are investigated ill the framework of the integral equation method. The pair-correlation functions are calculated for a wide range of the potential attraction including the colloidal regime, and the liquid-vapour phase diagram. The critical parameters are determined for attraction ranges spanning from the van der Waals limit down to the metastable reigion. An overall good agreement is found compared to available simulation data and several theoretical approaches.

引用

页码：2667 / 2675

页数：9

共 47 条

[1] PROPERTIES OF THE SQUARE-WELL FLUID OF VARIABLE WIDTH .4. MOLECULAR-DYNAMICS TEST OF THE VANDERWAALS AND LONG-RANGE APPROXIMATIONS [J].

BENAVIDES, AL ;

ALEJANDRE, J ;

DELRIO, F .

MOLECULAR PHYSICS, 1991, 74 (02) :321-331

[2] PROPERTIES OF THE SQUARE-WELL FLUID OF VARIABLE WIDTH .3. LONG-RANGE EXPANSION [J].

BENAVIDES, AL ;

DELRIO, F .

MOLECULAR PHYSICS, 1989, 68 (05) :983-1000

[3] ISOSTRUCTURAL SOLID-SOLID TRANSITION IN CRYSTALLINE SYSTEMS WITH SHORT-RANGED INTERACTION [J].

BOLHUIS, P ;

HAGEN, M ;

FRENKEL, D .

PHYSICAL REVIEW E, 1994, 50 (06) :4880-4890

[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] Phase diagram of complex fluids using an efficient integral equation method - art. no. 204901 [J].

Charpentier, I ;

Jakse, N .

JOURNAL OF CHEMICAL PHYSICS, 2005, 123 (20)

[6] Exact numerical derivatives of the pair-correlation function of simple liquids using the tangent linear method [J].

Charpentier, I ;

Jakse, N .

JOURNAL OF CHEMICAL PHYSICS, 2001, 114 (05) :2284-2292

[7] VAN-DER-WAALS THEORY FOR SOLIDS [J].

DAANOUN, A ;

TEJERO, CF ;

BAUS, M .

PHYSICAL REVIEW E, 1994, 50 (04) :2913-2924

[8] Higher-order glass-transition singularities in colloidal systems with attractive interactions [J].

Irish Ctr. Colloid Sci. Biomaterials, University College Dublin, Belfield, Dublin 4, Ireland ;

不详 ;

不详 .

Physical Review E - Statistical, Nonlinear, and Soft Matter Physics, 2001, 63 (1 I) :011401-011401

[9] Vapour-liquid equilibrium of the square-well fluid of variable range via a hybrid simulation approach [J].

Del Río, F ;

Avalos, E ;

Espíndola, R ;

Rull, LF ;

Jackson, G ;

Lago, S .

MOLECULAR PHYSICS, 2002, 100 (15) :2531-2546

[10] Phase diagram of the hard-core Yukawa fluid within the integral equation method [J].

El Mendoub, E. B. ;

Wax, J. -F. ;

Jakse, N. .

PHYSICAL REVIEW E, 2006, 74 (05)

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