Pusch, Anne-Kristin and Splith, Tobias and Moschkowitz, Lutz and Karmakar, Shilpi and Biniwale , Rajesh B. and Sant, Marco and Suffritti, Giuseppe B and Demontis, Pierfranco and Cravillon, Janosch and Pantatosaki, Evangelia and Stallmach, Frank (2012) NMR studies of Carbon Dioxide and Methane Self Diffusion in ZIF-8 at elevated gas pressures. Adsorption, 18 (5-6). pp. 359-366. ISSN 0929-5607

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Self-diffusion measurements with methane and carbon dioxide adsorbed in the Zeolitic Imidazolate Frame-work-8 (ZIF-8) were performed by 1H and 13C pulsed field gradient nuclear magnetic resonance (PFG NMR). The ex-periments were conducted at 298 K and variable pressures of 7 to 15 bar in the gas phase above the ZIF-8 bed. Via known adsorption isotherms these pressures were converted to loadings of the adsorbed molecules. The self-diffusion coefficients of carbon dioxide measured by PFG NMR are found to be independent of loading. They are in good agree-ment with results from molecular dynamic (MD) simula-tions and resume the trend previously found by IR mi-croscopy at lower loadings. Methane diffuses in ZIF-8 only slightly slower than carbon dioxide. Its experimentally ob-tained self-diffusion coefficients are about a factor of two smaller than the corresponding values determined by MD simulations using flexible frameworks

Item Type: Article
Uncontrolled Keywords: ZIF-8; Self-Diffusion; Carbon Dioxide; Methane; NMR; Molecular Dynamic Simulation
Subjects: Materials Science
Depositing User: Dr. Rajesh Biniwale
Date Deposited: 18 Nov 2014 10:22
Last Modified: 02 Dec 2014 12:07
URI: http://neeri.csircentral.net/id/eprint/506

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