Acta Chimica Sinica ›› 2010, Vol. 68 ›› Issue (17): 1681-1686. Previous Articles     Next Articles

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  1. (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)
  • 收稿日期:2010-02-02 修回日期:2010-03-23 出版日期:2010-09-14 发布日期:2010-05-07
  • 通讯作者: 吴慧杰
  • 基金资助:


Investigation of Phase Behaviors for Associating Lennard-Jones Fluids Confined in Slit Pores

WU Hui-Jie, LI Xiao-Sen   

  1. (Key Laboratory of Renewable Energy and Gas Hydrate, CAS, Guangzhou Institute of Energy Conversion, Chinese Academy of Sciences, Guangzhou 510640, China)
  • Received:2010-02-02 Revised:2010-03-23 Online:2010-09-14 Published:2010-05-07

The phase behaviors of two-site associating Lennard-Jones(LJ) fluid confined in slit pores were investigated by using the modified fundamental measure theory (MFMT) and density functional theory (DFT). The phase equilibria were determined according to the requirement that temperature, chemical potential and grand potential in both phases should be equal. The influences of association energy and pore width on the thermodynamic properties including equilibrium density distributions of molecules and monomers, adsorption and desorption isotherms, and vapor-liquid coexistence were demonstrated.

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