Krishna, R. ; van Baten, J. M. (2007) Using molecular simulations for screening of zeolites for separation of CO2/CH4 mixtures The Chemical Engineering Journal, 133 (1-3). pp. 121-131. ISSN 0300-9467
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Official URL: http://www.sciencedirect.com/science/article/pii/S...
Related URL: http://dx.doi.org/10.1016/j.cej.2007.02.011
Abstract
Using Grand Canonical Monte Carlo (GCMC) and molecular dynamics (MD) simulation techniques 12 different zeolites were screened to determine which one would yield the best membrane separation selectivity for separation of CO2 and CH4. The choice of the zeolite has a significant influence on both the sorption and diffusion selectivities. It was found that zeolites CHA and DDR, that have cages separated by narrow windows, yielded the best permeation selectivities.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to Elsevier Science. |
| Keywords: | Zeolites; Monte Carlo; Molecular Dynamics; CO2 Separation; Membrane Permeation; Separation Selectivity |
| ID Code: | 65354 |
| Deposited On: | 17 Oct 2011 03:27 |
| Last Modified: | 17 Oct 2011 03:27 |
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