Torres-Knoop, Ariana ; Krishna, Rajamani ; Dubbeldam, David (2014) Separating xylene isomers by commensurate stacking of p-Xylene within channels of MAF-X8 Angewandte Chemie International Edition, 53 (30). pp. 7774-7778. 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.201402894
Abstract
The development of energy-efficient processes for selective separation of p-xylene from mixtures with its isomers is of vital importance in the petrochemical industries. Current industrial practice uses BaX zeolite that has high adsorption selectivity for p-xylene. Finding para-selective structures is challenging. With state-of-the-art simulation methodologies we systematically screened a wide variety of zeolites and Metal–organic Frameworks (MOFs). Our investigations highlight the crucial importance of the channel dimension on the separation. MAF-X8 is particularly noteworthy because the channel dimensions and geometry allow “commensurate stacking” which we exploit as a separation mechanism at saturation conditions. Due to a significantly improved capacity compared to BaX, the cycle times for p-xylene with MAF-X8 are found to be about a factor of 4.5 longer. This is expected to result in significant process improvements.
Item Type: | Article |
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Source: | Copyright of this article belongs to John Wiley and Sons, Inc. |
Keywords: | Adsorption; Stacking Interactions; MOFs; Selective Separation; Xylenes |
ID Code: | 111793 |
Deposited On: | 26 Sep 2017 12:15 |
Last Modified: | 26 Sep 2017 12:15 |
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