Mechanism of adsorption in cylindrical nanopores. The roles of adsorbate-adsorbate interactions in stabilizing the adsorbed phase

被引：0
作者：
Kuchta, B. [1 ]
Firlej, L.
机构：
[1] Univ Aix Marseille 1, Ctr St Jerome, Lab Mat Divises, MADIREL, F-13397 Marseille, France
[2] Univ Montpellier 2, Lab Colloides, LCVN, F-34095 Montpellier, France
来源：
MATERIALS SCIENCE-POLAND | 2006年 / 24卷 / 02期
关键词：
adsorption mechanism; nanopores; Monte Carlo simulations;
D O I：
暂无
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
Mechanism of adsorption in nanometric cylindrical pores has been analysed. Grand canonical Monte Carlo simulations were performed for two model systems: krypton and argon, adsorbed in an ideal (smooth) cylindrical silica pore of diameter 2R = 4 nm. The role of interatomic (adsorbate-adsorbate) interactions and atom-wall (adsorbate-adsorbent) forces in the mechanism of adsorption has been discussed. It has been shown that the correlation between these two energy components plays a crucial role in layering and capillary condensation transitions. The stability of different stages of adsorption has been analysed and discussed taking into consideration fluctuations of energy and number of adsorbed atoms during simulations.
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页码：433 / 442
页数：10
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