Supplement to Calculating Vapor-Liquid Surface Tension According to Gibbs

被引:14
作者
Tovbin, Yu. K. [1 ]
机构
[1] Russian Acad Sci, Kurnakov Inst Gen & Inorgan Chem, Moscow 117901, Russia
基金
俄罗斯基础研究基金会;
关键词
molecular theory; surface tension; equilibrium droplets; intermolecular motions of components; THERMODYNAMIC FUNCTIONS; MOLECULAR THEORY; VIBRATIONS; ADSORBATE; BOUNDARY;
D O I
10.1134/S0036024419090280
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
Expressions for calculating Gibbs vapor-liquid surface tension sigma are generalized to allow for the interaction between comparable components of a mixture with an arbitrary radius of the interaction potential. Calculations are performed within a modified lattice gas model reflecting a discrete-continuous distribution of mixture components in space with allowance for direct correlations in a quasi-chemical approximation. The calculating of sigma is associated with the rejection priority of mechanical characteristics over chemical potential, which is traditional in continuum mechanics. The chemical potential governs local equilibrium distributions of components in the transitional region of a boundary, resulting in the need to use microscopic Gibbs-Duhem equations in a deformed lattice structure of a substance to determine the average distance between molecules (as lattice structure parameters) and to consider effective one-particle motions of components in a dense phase that alter these parameters. Calculations of the surface tension of dense mixtures in models ignoring the existence of vacancies and structural deformation are discussed.
引用
收藏
页码:1662 / 1671
页数:10
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