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Density functional study of the pressure tensor for inhomogeneous Lennard–Jones fluids |
| Sun Zong-Li(孙宗利)a)†, Kang Yan-Shuang(康艳霜) b), Kang Yan-Mei(康艳梅)c), Liu Zhi-Cheng(刘志成)a), and Ma Heng-Xin(马恒心) b) |
a. Science and Technology College, North China Electric Power University, Baoding 071051, China;
b. College of Science, Agriculture University of Hebei, Baoding 071001, China;
c. Department of Information Science and Technology, University of International Relations, Beijing 100091, China |
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Abstract Based on classical density functional theory, an expression of the pressure tensor for inhomogeneous fluids is presented. This takes into account greater correlation between particles, especially for systems that are geometrically confined or involve an interface. The density and pressure components of Lennard-Jones fluids confined in hard and softened nano-cavities are calculated. A comparison between the results of this work and IK expression suggests that the agreement depends on temperature. The interfacial tension for hard sphere fluids agrees well with the Monte Carlo result when the bulk density is not too large. The results of the solid-fluid interfacial tension for Lennard-Jones fluids demonstrate that different types of external potentials modulate the interfacial tension in different manners.
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Received: 23 November 2011
Revised: 03 January 2012
Accepted manuscript online:
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PACS:
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61.20.Gy
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(Theory and models of liquid structure)
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62.10.-s
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| Fund: Project supported by the North China Electric Power University Campus Foundation (Grant No. 200911036). |
Corresponding Authors:
Sun Zong-Li
E-mail: zongli_sun@163.com
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Cite this article:
Sun Zong-Li(孙宗利), Kang Yan-Shuang(康艳霜), Kang Yan-Mei(康艳梅), Liu Zhi-Cheng(刘志成), and Ma Heng-Xin(马恒心) Density functional study of the pressure tensor for inhomogeneous Lennard–Jones fluids 2012 Chin. Phys. B 21 066103
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