Evaluation of liquid-vapour density profiles of associating fluids:: A density-functional approach

被引：11

作者：

Borówko, M ^{[1
]}

Stepniak, K ^{[1
]}

Sokolowski, S ^{[1
]}

Zagórski, R ^{[1
]}

机构：

[1] Marie Curie Sklodowska Univ, Dept Modelling Physicochem Proc, PL-20031 Lublin, Poland

来源：

CZECHOSLOVAK JOURNAL OF PHYSICS | 1999年 / 49卷 / 07期

关键词：

D O I：

10.1023/A:1022837909090

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

The structure of liquid-gas interface of associating Lennard-Jones particles is studied using the density-functional theory and the Monte Carlo simulation. The model with one bonding site per particle is considered. It is shown that the considered version of the density functional is quite successful in predicting the gas-liquid density profile.

引用

页码：1067 / 1075

页数：9

共 26 条

[21]

Segura CJ, 1997, MOL PHYS, V90, P759, DOI 10.1080/00268979709482661

[22] CAPILLARY WAVES OF A VAPOR-LIQUID INTERFACE NEAR THE CRITICAL-TEMPERATURE [J].

SENGERS, JV ;

VANLEEUWEN, JMJ .

PHYSICAL REVIEW A, 1989, 39 (12) :6346-6355

[23] Structure of associating fluids with directional bonding. Analytical treatment versus Monte Carlo simulations [J].

Sokolowski, S ;

Trokhymchuk, A .

PHYSICS LETTERS A, 1997, 236 (5-6) :557-562

[24] PHASE-EQUILIBRIA OF FLUID INTERFACES AND CONFINED FLUIDS - NONLOCAL VERSUS LOCAL DENSITY FUNCTIONALS [J].

TARAZONA, P ;

MARCONI, UMB ;

EVANS, R .

MOLECULAR PHYSICS, 1987, 60 (03) :573-595

[25] ROLE OF REPULSIVE FORCES IN DETERMINING EQUILIBRIUM STRUCTURE OF SIMPLE LIQUIDS [J].

WEEKS, JD ;

CHANDLER, D ;

ANDERSEN, HC .

JOURNAL OF CHEMICAL PHYSICS, 1971, 54 (12) :5237-+

[26] THERMODYNAMIC PERTURBATION-THEORY OF POLYMERIZATION [J].

WERTHEIM, MS .

JOURNAL OF CHEMICAL PHYSICS, 1987, 87 (12) :7323-7331

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