期刊
JOURNAL OF CHEMICAL PHYSICS
卷 116, 期 13, 页码 5795-5800出版社
AIP Publishing
DOI: 10.1063/1.1456025
关键词
-
The density distribution of hard spheres in square and rectangular channels is studied using density functional theory and grand canonical ensemble Monte Carlo simulations. The theory uses the weighted density approximation for the excess Helmholtz free energy functional with the Curtin-Ashcroft approximation for the weighting function. The theoretical predictions are in good quantitative agreement with the simulations except for very high densities. The theory predicts pronounced layering in the channel as the density is increased, with high values of density at the surfaces and even higher densities at the corners where any two surfaces meet. Interesting interference effects are observed in the density profiles when compared to the case of a hard sphere fluid in slitlike pores. (C) 2002 American Institute of Physics.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据