How to extend the bridge density functional approximation to the confined non-hard sphere fluid

被引：0
作者：
Key Laboratory of Green Packaging and Biological Nanotechnology of Hunan Province, Institute of Modern Statistical Mechanics, Hunan University of Technology, Zhuzhou 412008, China [1 ]
机构：
[1] Key Laboratory of Green Packaging and Biological Nanotechnology of Hunan Province, Institute of Modern Statistical Mechanics, Hunan University of Technology
来源：
Chin. J. Chem. Phys. | 2006年 / 4卷 / 319-324+i期
关键词：
Bridge density functional approximation; Correlation function; Density functional theory; Hard sphere fluid;
D O I：
10.1360/cjcp2006.19(4).329.6
中图分类号：
学科分类号：
摘要：
A theoretical method was proposed to extend a bridge density functional approximation (BDFA) for the non-uniform hard sphere fluid to the non-uniform Lennard-Jones (LJ) fluid. The DFT approach for LJ fluid is simple, quantitatively accurate in a wide range of coexistence phase and external field parameters. Especially, the DFT approach only needs a second order direct correlation function (DGF) of the coexistence bulk fluid as input, and is therefore applicable to the subcritical temperature region. The present theoretical method can be regarded as a non-uniform counterpart of the thermodynamic perturbation theory, in which it is not at the level of the free energy but at the level of the second order DGF. © 2006 Chinese Physical Society.
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页码：319 / 324+i
相关论文
共 30 条
  • [1] Zhou S., Ruckenstein E., J. Chem. Phys., 112, (2000)
  • [2] Zhou S., J. Chem. Phys., 113, (2000)
  • [3] Choudhury N., Ghosh S.K., J. Chem. Phys., 114, (2001)
  • [4] Kim S.C., Suh S.H., J. Chem. Phys., 117, (2002)
  • [5] Kim M.S., Kim S.C., J. Korean Phys. Soc, 41, (2002)
  • [6] Choudhury N., Ghosh S.K., J.Chem. Phys., 118, (2003)
  • [7] Patra C.N., Ghosh S.K., J. Chem. Phys., 117, (2002)
  • [8] Zhou S., Ruckenstein E., J. Chem. Phys., 112, (2000)
  • [9] Zhou S., J. Phys. Chem. B, 105, (2001)
  • [10] Zhou S., Chin. Phys. Lett., 20, (2003)
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