Dubbeldam, David ; Krishna, Rajamani ; Calero, Sofía ; Yazaydın, Ahmet Ozgur (2012) Computer-assisted screening of ordered crystalline nanoporous adsorbents for separation of alkane isomers Angewandte Chemie International Edition, 51 (47). pp. 11867-11871. ISSN 1433-7851
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Official URL: http://onlinelibrary.wiley.com/doi/10.1002/anie.20...
Related URL: http://dx.doi.org/10.1002/anie.201205040
Abstract
Separation of di-branched alkanes from their linear and mono-branched isomers is important in producing high-octane gasoline. Using computational techniques to screen a large variety of adsorbent materials (see scheme), ZIF-77 emerges as the best adsorbent. It has the unique ability to fractionate isomer mixtures according to the degree of branching.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to John Wiley and Sons, Inc. |
| Keywords: | Adsorption; Alkane Separation; Metal–Organic Frameworks; Molecular Simulations; ZIF-77 |
| ID Code: | 111851 |
| Deposited On: | 25 Sep 2017 13:05 |
| Last Modified: | 25 Sep 2017 13:05 |
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