| Vapour-to-Liquid Nucleation in Associating Lennard-Jones Fluids with Multiple Association Sites |
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| 作者姓名： | 付东 廖涛 |
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| 作者单位： | School of Environmental Science and Engineering, North China Electric Power University, Baoding 071003 |
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| 基金项目： | 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. |
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| 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.
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| 关 键 词： | 气流态 原子核 流体 相互联系 |
| 收稿时间： | 2007-5-8 |
| 修稿时间： | 2007-05-08 |
Vapour-to-Liquid Nucleation in Associating Lennard-Jones Fluids with Multiple Association Sites |
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| FU Dong,LIAO Tao.Vapour-to-Liquid Nucleation in Associating Lennard-Jones Fluids with Multiple Association Sites[J].Chinese Physics Letters,2007,24(10):2804-2807. |
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| Authors: | FU Dong LIAO Tao |
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| Institution: | School of Environmental Science and Engineering, North China Electric Power University, Baoding 071003 |
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| Abstract: | The excess Helmholtz free energy functional for associating Lennard-Jones (LJ) 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 ofparticles 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. |
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| Keywords: | 31 15 Ew 64 60 Qb |
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