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Acta Physico-Chimica Sinica  2006, Vol. 22 Issue (03): 355-358    DOI: 10.3866/PKU.WHXB20060320
Note     
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
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Abstract  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.

Key wordsHysteresis      LDFT      Slit adsorption      Gibbs ensemble     
Received: 05 July 2005      Published: 10 March 2006
Corresponding Authors: MU Bo-Zhong     E-mail: bzmu@ecust.edu.cn
Cite this article:

LIU Mei-Tang; MU Bo-Zhong. Hysteresis Loops Predictions by Revised LDFT in Slits. Acta Physico-Chimica Sinica, 2006, 22(03): 355-358.

URL:

http://www.whxb.pku.edu.cn/Jwk_wk/wlhx/10.3866/PKU.WHXB20060320     OR     http://www.whxb.pku.edu.cn/Jwk_wk/wlhx/Y2006/V22/I03/355

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