Liquid-Phase Multicomponent Adsorption and Separation of Xylene Mixtures by Flexible MIL-53 Adsorbents
| Autor: | David S. Sholl, Jason Bentley, Alejandra Rivas-Cardona, Souryadeep Bhattacharyya, Machteld M. Mertens, Sankar Nair, Mayank Agrawal, Krista S. Walton, Krishna C. Jayachandrababu, Yi Huang, Christopher R. Murdock |
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| Rok vydání: | 2017 |
| Předmět: |
Materials science
Xylene Liquid phase Molecular simulation 02 engineering and technology 010402 general chemistry 021001 nanoscience & nanotechnology 01 natural sciences 0104 chemical sciences Surfaces Coatings and Films Electronic Optical and Magnetic Materials Metal Boiling point chemistry.chemical_compound General Energy Adsorption Chemical engineering chemistry visual_art visual_art.visual_art_medium Physical and Theoretical Chemistry 0210 nano-technology |
| Zdroj: | The Journal of Physical Chemistry C. 122:386-397 |
| ISSN: | 1932-7455 1932-7447 |
| DOI: | 10.1021/acs.jpcc.7b09105 |
| Popis: | The MIL-53 class of metal-organic frameworks (MOFs) has recently generated interest as potential adsorbents for xylene mixture separations. Cost-effective separation of xylene isomers is challenging owing to the similarity in their molecular structures, kinetic diameters and boiling points. Here we report a systematic experimental and computational study of xylene isomer adsorption in MIL-53 adsorbents, focusing particularly on the effects of different metal centers, determination of separation properties with industrially relevant quaternary liquid-phase C8 aromatic feeds, and a predictive molecular simulation methodology that accounts for all relevant modes of MIL-53 framework flexibility. Significant scale-up of MIL-53 synthesis was carried out to produce high-quality materials in sufficient quantities (300-500 g each) for detailed measurements. Single-component adsorption simulations incorporating the MIL-53 ‘breathing’ and linker flexibility effects showed good agreement with experimental isotherms. ... |
| Databáze: | OpenAIRE |
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