Vapour-to-Liquid Nucleation in Associating Lennard-Jones Fluids with Multiple Association Sites  

作　　者：付东 廖涛 

机构地区：[1]School of Environmental Science and Engineering, North China Electric Power University, Baoding 071003

出　　处：《Chinese Physics Letters》2007年第10期2804-2807,共4页中国物理快报（英文版）

基　　金：Supported by the National Natural Science Foundation of China under Grant Nos 20576030 and 20606009, the Programme for New Century Excellent Talents in University under Grant No 06-0206, and the Research Fund of Key Lab for Nanomaterials, Ministry of Education of China under Grant No 2006-2.

摘　　要：The excess Helmholtz free energy functional for associating Lennard-Jones （L J） fluid is formulated in terms of a weighted density approximation for short-ranged interactions and a Weeks-Chandler-Andersen approximation for long-range attraction. Within the framework of density functional theory, phase equilibria, vapour-liquid surface tension and vapour-liquid nucleation properties including the density profile, work of formation, excess number of particles and critical supersaturation are investigated for associating LJ fluids with different numbers of association sites （M =1,2, 3, 4） per particle. The influences of association energy and association sites on phase equilibria, surface tension and vapour-liquid nucleation properties are discussed.The excess Helmholtz free energy functional for associating Lennard-Jones （L J） fluid is formulated in terms of a weighted density approximation for short-ranged interactions and a Weeks-Chandler-Andersen approximation for long-range attraction. Within the framework of density functional theory, phase equilibria, vapour-liquid surface tension and vapour-liquid nucleation properties including the density profile, work of formation, excess number of particles and critical supersaturation are investigated for associating LJ fluids with different numbers of association sites （M =1,2, 3, 4） per particle. The influences of association energy and association sites on phase equilibria, surface tension and vapour-liquid nucleation properties are discussed.

关 键 词：coated conductor buffer layer self-epitaxy CEO2 

分 类 号：O57[理学—粒子物理与原子核物理] O35[理学—物理]