首页 | 本学科首页   官方微博 | 高级检索  
     检索      


Bridge density functional approximation for non-uniform hard core repulsive Yukawa fluid
Authors:Zhou Shi-Qi
Institution:School of Physics Science and Technology, Central South University, Changsha 412008, China
Abstract:In this work, a bridge density functional approximation (BDFA) (\wx{J. Chem. Phys.} 112, 8079 (2000)) for a non-uniform hard-sphere fluid is extended to a non-uniform hard-core repulsive Yukawa (HCRY) fluid. It is found that the choice of a bulk bridge functional approximation is crucial for both a uniform HCRY fluid and a non-uniform HCRY fluid. A new bridge functional approximation is proposed, which can accurately predict the radial distribution function of the bulk HCRY fluid. With the new bridge functional approximation and its associated bulk second order direct correlation function as input, the BDFA can be used to well calculate the density profile of the HCRY fluid subjected to the influence of varying external fields, and the theoretical predictions are in good agreement with the corresponding simulation data. The calculated results indicate that the present BDFA captures quantitatively the phenomena such as the coexistence of solid-like high density phase and low density gas phase, and the adsorption properties of the HCRY fluid, which qualitatively differ from those of the fluids combining both hard-core repulsion and an attractive tail.
Keywords:bridge density functional approximation  radial distribution function  colloid  density distribution
本文献已被 维普 等数据库收录!
点击此处可从《中国物理 B》浏览原始摘要信息
点击此处可从《中国物理 B》下载免费的PDF全文
设为首页 | 免责声明 | 关于勤云 | 加入收藏

Copyright©北京勤云科技发展有限公司  京ICP备09084417号