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Effect of adsorbate loading on selectivity during adsorption of C/C and C/C n-alkane binary mixtures in silicalite

Ganesh, Hari S and Punnathanam, Sudeep N (2014) Effect of adsorbate loading on selectivity during adsorption of C/C and C/C n-alkane binary mixtures in silicalite. In: ADSORPTION-JOURNAL OF THE INTERNATIONAL ADSORPTION SOCIETY, 20 (5-6). pp. 729-736.

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Official URL: http://dx.doi.org/ 10.1007/s10450-014-9616-x

Abstract

Adsorption experiments of mixtures of long chain alkanes into silicalite under liquid phase conditions show selectivity inversion and azeotrope formation. These effects are due to the subtle interplay between the size of the adsorbed molecules and pore topology of the adsorbent. In this study, the selective uptake of lighter component during liquid phase adsorption of C/C and C/C n-alkane binary mixtures in the zeolite silicalite is understood through configurational bias grand-canonical Monte Carlo molecular simulation technique and a coarse-grained siting analysis. The simulations are conducted under conditions of low and intermediate levels of loading. The siting pattern of the adsorbates inside the zeolite pores explain the selectivity as seen in experiments.

Item Type: Journal Article
Additional Information: Copy right for this article belongs to the SPRINGER, VAN GODEWIJCKSTRAAT 30, 3311 GZ DORDRECHT, NETHERLANDS
Department/Centre: Division of Mechanical Sciences > Chemical Engineering
Depositing User: Id for Latest eprints
Date Deposited: 21 Aug 2014 10:27
Last Modified: 21 Aug 2014 10:27
URI: http://eprints.iisc.ac.in/id/eprint/49648

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