Surface tension of molecular liquids: Lattice gas approach

被引：4

作者：

Maslechko, A. ^{[1
]}

Glavatskiy, K. ^{[2
]}

Kulinskii, V. L. ^{[3
]}

机构：

[1] Norwegian Univ Sci & Technol, Dept Chem, Hogskoleringen 5, N-7491 Trondheim, Norway

[2] Univ Queensland, Sch Chem Engn, Brisbane, Qld, Australia

[3] Odessa Natl Univ, Dept Theoret Phys, Dvoryanskaya 2, UA-65082 Odessa, Ukraine

来源：

JOURNAL OF MOLECULAR LIQUIDS | 2017年 / 235卷

关键词：

Surface tension; Lattice gas; Global isomorphism; LENNARD-JONES FLUID; 3-DIMENSIONAL ISING-MODEL; ZENO-LINE PARAMETERS; VAPOR INTERFACE; RECTILINEAR DIAMETER; FREE-ENERGY; SIMULATIONS; EQUILIBRIA; BEHAVIOR; PHASES;

D O I：

10.1016/j.molliq.2016.11.103

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：

The approach of global isomorphism between the fluid and the Ising model is applied to obtain an expression for the surface tension of the Lennard-Jones fluid on the basis of the information about the Ising model. This is done in a broad interval of temperatures along the phase coexistence, and is valid both in a 2D and a 3D. The relation between the critical amplitudes of the surface tension of the fluid and the Ising model is derived in the vicinity of the critical point. The obtained theoretical estimates agree well with the literature results for the surface tension. The methodology is demonstrated for the 2D LJ fluid on the basis of the exact solution of the 2D Ising model and is tested for the 3D Li fluid. As a result, an expression for the surface tension without any fitting parameter is derived. (C) 2016 Elsevier B.V. All rights reserved.

引用

页码：119 / 125

页数：7

共 53 条

[1]

ABRAHAM FF, 1981, PHYS REP, V80, P339, DOI 10.1016/0370-1573(81)90099-5

[2]

[Anonymous], 2007, EXACTLY SOLVED MODEL

[3] A New Similarity Found from the Correspondence of the Critical and Zeno-Line Parameters [J].

Apfelbaum, E. M. ;

Vorob'ev, V. S. .

JOURNAL OF PHYSICAL CHEMISTRY B, 2008, 112 (41) :13064-13069

[4] The confirmation of the critical point-Zeno-line similarity set from the numerical modeling data for different interatomic potentials [J].

Apfelbaum, E. M. ;

Vorob'ev, V. S. .

JOURNAL OF CHEMICAL PHYSICS, 2009, 130 (21)

[5] Correspondence between the Critical and the Zeno-Line Parameters for Classical and Quantum Liquids [J].

Apfelbaum, E. M. ;

Vorob'ev, V. S. .

JOURNAL OF PHYSICAL CHEMISTRY B, 2009, 113 (11) :3521-3526

[6] GENERALIZED VANDERWAALS THEORIES AND THE ASYMPTOTIC FORM OF THE DENSITY PROFILE OF A LIQUID VAPOR INTERFACE [J].

BARKER, JA ;

HENDERSON, JR .

JOURNAL OF CHEMICAL PHYSICS, 1982, 76 (12) :6303-6307

[7]

Batschinski A, 1906, ANN PHYS-BERLIN, V19, P307

[8]

BENAMOTZ D, 1990, ISRAEL J CHEM, V30, P59

[9]

Blas F.J., 2012, J CHEM PHYS, V137

[10] TAIL CORRECTIONS TO THE SURFACE-TENSION OF A LENNARD-JONES LIQUID-VAPOR INTERFACE [J].

BLOKHUIS, EM ;

BEDEAUX, D ;

HOLCOMB, CD ;

ZOLLWEG, JA .

MOLECULAR PHYSICS, 1995, 85 (03) :665-669

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