Krishna, R. ; van Baten, J. M. (2007) Screening of zeolite adsorbents for separation of hexane isomers: a molecular simulation study Separation and Purification Technology, 55 (2). pp. 246-255. ISSN 1383-5866
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Official URL: http://www.sciencedirect.com/science/article/pii/S...
Related URL: http://dx.doi.org/10.1016/j.seppur.2006.12.011
Abstract
Recent developments in Monte Carlo (MC) simulation techniques have enabled the accurate calculation of sorption isotherms of a variety of molecules in zeolites. Using the example of separation of isomers of hexane we demonstrate the power of MC simulations for screening of zeolite adsorbents for maximum separation selectivity. The simulations underline the exploitation of entropy effects during mixture sorption.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to Elsevier Science. |
| Keywords: | Zeolites; Monte Carlo Simulations; Separation of Hexane Isomers; Configurational Entropy; Separation Selectivity; Entropy Effects |
| ID Code: | 65353 |
| Deposited On: | 17 Oct 2011 03:27 |
| Last Modified: | 17 Oct 2011 03:27 |
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