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Mean field lattice model for adsorption isotherms in zeolite NaA

Ayappa, KG and Kamala, CR and Abinandanan, TA (1999) Mean field lattice model for adsorption isotherms in zeolite NaA. In: Journal of Chemical Physics, The, 110 (17). pp. 8714-8721.

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Using a lattice model for adsorption in microporous materials, pure component adsorption isotherms are obtained within a mean field approximation for methane at 300 K and xenon at 300 and 360 K in zeolite NaA. It is argued that the increased repulsive adsorbate-adsorbate interactions at high coverages must play an important role in determining the adsorption behavior. Therefore, this feature is incorporated through a "coverage-dependent interaction'' model, which introduces a free, adjustable parameter. Another important feature, the site volume reduction, has been treated in two ways: a van der Waal model and a 1D hard-rod theory [van Tassel et al., AIChE J. 40, 925 (1994)]; we have also generalized the latter to include all possible adsorbate overlap scenarios. In particular, the 1D hard-rod model, with our coverage-dependent interaction model, is shown to be in best quantitative agreement with the previous grand canonical Monte Carlo isotherms. The expressions for the isosteric heats of adsorption indicate that attractive and repulsive adsorbate-adsorbate interactions increase and decrease the heats of adsorption, respectively. It is concluded that within the mean field approximation, our simple model for repulsive interactions and the 1D hard-rod model for site volume reduction are able to capture most of the important features of adsorption in confined regions. (C) 1999 American Institute of Physics. [S0021-9606(99)70515-5].

Item Type: Journal Article
Publication: Journal of Chemical Physics, The
Publisher: American Institute of Physics
Additional Information: Copyright of this article belongs to American Institute of Physics.
Department/Centre: Division of Chemical Sciences > Solid State & Structural Chemistry Unit
Division of Mechanical Sciences > Materials Engineering (formerly Metallurgy)
Date Deposited: 30 Jun 2011 11:47
Last Modified: 30 Jun 2011 11:47
URI: http://eprints.iisc.ac.in/id/eprint/38649

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