Investigation of Interfacial Properties for Associating Lennard-Jones Fluids Confined in Slit Pores

Acta Chimica Sinica ›› 2011, Vol. 69 ›› Issue (04): 363-367. Next Articles

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缔合Lennard-Jones流体在纳米缝隙中的界面性质研究

李小森*，吴慧杰

(中国科学院广州能源研究所中国科学院可再生能源与天然气水合物重点实验室广州 510640)

投稿日期:2010-10-22 修回日期:2010-11-27 发布日期:2010-12-20
通讯作者: 李小森 E-mail:lixs@ms.giec.ac.cn
基金资助:
国家自然科学基金;中科院知识创新工程重要方向项目;广东省科技计划项目

Investigation of Interfacial Properties for Associating Lennard-Jones Fluids Confined in Slit Pores

LI Xiao-Sen, WU Hui-Jie

(Key Laboratory of Renewable Energy and Gas Hydrate, CAS, Guangzhou Institute of Energy Conversion, Chinese Academy of Sciences, Guangzhou 510640, China)

Received:2010-10-22 Revised:2010-11-27 Published:2010-12-20

Abstract

The Helmholtz free energy functional for two-site associating Lennard-Jones (LJ) fluid confined in slit pores was established by combining the modified fundamental measure theory (MFMT) and first-order mean-spherical approximation theory (FMSA). The interfacial tension isotherms and the equili- brium interfacial tensions were investigated by using the density functional theory (DFT). The effects of the wall force, association energy and pore width on interfacial tensions were demonstrated.

Key words: two-site associating Lennard-Jones fluid, slit pore, interfacial tension, density functional theory

Cite this article

LI Xiao-Sen, WU Hui-Jie. Investigation of Interfacial Properties for Associating Lennard-Jones Fluids Confined in Slit Pores[J]. Acta Chimica Sinica, 2011, 69(04): 363-367.

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缔合Lennard-Jones流体在纳米缝隙中的界面性质研究

Investigation of Interfacial Properties for Associating Lennard-Jones Fluids Confined in Slit Pores

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