Authors: Bogdan Kuchta Lucyna Firlej Guillaume Maurin
Publish Date: 2005/05/12
Volume: 11, Issue: 4-5, Pages: 293-300
Abstract
Adsorption in nonporous materials has been studied using Grand Canonical Monte Carlo simulations We discuss three types of materials a a model of cylindrical pores with smooth walls representing MCM41 like materials b a model of cylindrical pores with regular structured walls model of carbon nanotubes and c a material with crystalline wall structure zeolites Typical problems related to the stability of adsorbed layers have been analyzed We have shown that the mechanism of adsorption is strongly dependent on the structure of the pore walls In the case of amorphous walls it may lead to metastable configurations In nanotubes the ordered corrugation structure of walls determines the low temperature structure of the adsorbed system In 3D ordered porous system such as zeolites the mechanism of adsorption is mostly determined by characteristic sites of adsorption
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