Modeling of diffusion in zeolites

Frerich Keil, J. ; Krishna, Rajamani ; Coppens, Marc-Olivier (2000) Modeling of diffusion in zeolites Reviews in Chemical Engineering, 16 (2). pp. 71-197. ISSN 0167-8299

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Official URL: http://www.reference-global.com/doi/abs/10.1515/RE...

Related URL: http://dx.doi.org/10.1515/REVCE.2000.16.2.71

Abstract

Diffusion of adsorbed molecules in zeolites plays an important role in the use of zeolites as adsorbents in separation processes and in shape-selective catalysis. Computational chemistry is in a stage where diffusion phenomena, even for multicomponent diffusion, can be treated at a level of high accuracy. The present review presents most of the results on diffusion in zeolites obtained by classical Molecular Dynamics, dynamic Monte-Carlo approaches, Transition-State Theory, and the Maxwell-Stefan approach. Reactive and non-reactive conditions are considered.

Item Type:Article
Source:Copyright of this article belongs to Walter de Gruyter GmbH & Co. KG.
Keywords:Diffusion in Zeolites; Modelling; Molecular Dynamics; Monte-Carlo; Transition-state Theory; Maxwell-Stefan
ID Code:65492
Deposited On:17 Oct 2011 03:07
Last Modified:17 Oct 2011 03:07

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