Exact statistical mechanical treatment of a toroidal lattice model of narrow-bore nanotube alkane adsorption isotherms and comparison with Monte-Carlo simulations

被引：10
作者：
Dunne, LJ
Manos, G
机构：
[1] S Bank Univ, Dept Math Stat & Operat Res, London SE1 0AA, England
[2] Univ Sussex, Dept Chem, Brighton BN1 9QJ, E Sussex, England
[3] UCL, Dept Chem Engn, London WC1E 7JE, England
来源：
CHEMICAL PHYSICS LETTERS | 2004年 / 390卷 / 1-3期
关键词：
D O I：
10.1016/j.cplett.2004.03.144
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
Adsorption isotherms obtained by Smit et at. using Monte-Carlo simulation for alkane molecule adsorption in the narrow-bore nanotubular pores of Aluminophosphates show a highly unusual structure with chain length dependent steps and whose interpretation is uncertain. An exact calculation of the statistical mechanics of a lattice model of alkane molecule adsorption shows that the isotherm structure arises from the energetic cost of packing molecules into pores and is not directly related to capillary condensation. Three-dimensional interactions are not required to produce the isotherm steps. (C) 2004 Elsevier B.V. All rights reserved.
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页码：14 / 19
页数：6
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