Register
ISSN 1000-6818CN 11-1892/O6CODEN WHXUEU
Acta Phys Chim Sin >> 2006,Vol.22>> Issue(03)>> 355-358     doi: 10.3866/PKU.WHXB20060320         中文摘要
Hysteresis Loops Predictions by Revised LDFT in Slits
LIU Mei-Tang; MU Bo-Zhong
Department of Chemistry, East China University of Science and Technology, Shanghai 200237, P. R. China
Full text: PDF (228KB) Export: BibTeX | EndNote (RIS)
The lattice density functional theory (LDFT) for a Gibbs ensemble system of monoatomic molecules adsorbed in finite-width slits was modified by introducing the intermolecular-action-pair′s correction factor. The adsorption and desorption isotherms of solute were then calculated by a successive iteration procedure. The micro mechanisms of hysteresis loops are discussed by both the revised and original LDFT model. It is found that they can both predict hysteresis loops but large differences are found between results of them. As Monte Carlo simulation has demonstrated that revised model is more suitable to predict adsorbing properties in slits according to our former works, it can be concluded that the original LDFT model may arouse obvious system errors for its simple mean field assumption in theory treatments.

Keywords: Hysteresis   LDFT   Slit adsorption   Gibbs ensemble  
Received: 2005-07-05 Accepted: 2005-09-28 Publication Date (Web): 2006-03-10
Corresponding Authors: MU Bo-Zhong Email: bzmu@ecust.edu.cn


Cite this article: LIU Mei-Tang; MU Bo-Zhong. Hysteresis Loops Predictions by Revised LDFT in Slits[J]. Acta Phys. -Chim. Sin., 2006,22 (03): 355-358.    doi: 10.3866/PKU.WHXB20060320
Copyright © 2006-2016 Editorial office of Acta Physico-Chimica Sinica
Address: College of Chemistry and Molecular Engineering, Peking University, Beijing 100871, P.R.China
Service Tel: +8610-62751724 Fax: +8610-62756388 Email:whxb@pku.edu.cn
^ Top