NMR studies of carbon dioxide and methane self-diffusion in ZIF-8 at elevated gas pressures

Pusch, A-K; Splith, T; Moschkowitz, L; Karmakar, S; Biniwale, R; Sant, M; Suffritti, GB; Demontis, P; Cravillon, J; Pantatosaki, E; Stallmach, F

dc.contributor.author	Pusch, A-K	en
dc.contributor.author	Splith, T	en
dc.contributor.author	Moschkowitz, L	en
dc.contributor.author	Karmakar, S	en
dc.contributor.author	Biniwale, R	en
dc.contributor.author	Sant, M	en
dc.contributor.author	Suffritti, GB	en
dc.contributor.author	Demontis, P	en
dc.contributor.author	Cravillon, J	en
dc.contributor.author	Pantatosaki, E	en
dc.contributor.author	Stallmach, F	en
dc.date.accessioned	2014-03-01T11:47:06Z
dc.date.available	2014-03-01T11:47:06Z
dc.date.issued	2012	en
dc.identifier.issn	09295607	en
dc.identifier.uri	https://dspace.lib.ntua.gr/xmlui/handle/123456789/38083
dc.subject	Carbon dioxide	en
dc.subject	Methane	en
dc.subject	Molecular dynamic simulation	en
dc.subject	NMR	en
dc.subject	Self-diffusion	en
dc.subject	ZIF-8	en
dc.title	NMR studies of carbon dioxide and methane self-diffusion in ZIF-8 at elevated gas pressures	en
heal.type	other	en
heal.identifier.primary	10.1007/s10450-012-9414-2	en
heal.identifier.secondary	http://dx.doi.org/10.1007/s10450-012-9414-2	en
heal.publicationDate	2012	en
heal.abstract	Self-diffusion measurements with methane and carbon dioxide adsorbed in the Zeolitic Imidazolate Framework-8 (ZIF-8) were performed by1H and13C pulsed field gradient nuclear magnetic resonance (PFG NMR). The experiments 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 agreement with results from molecular dynamic (MD) simulations and resume the trend previously found by IR microscopy at lower loadings. Methane diffuses in ZIF-8 only slightly slower than carbon dioxide. Its experimentally obtained self-diffusion coefficients are about a factor of two smaller than the corresponding values determined by MD simulations using flexible frameworks. © 2012 Springer Science+Business Media, LLC.	en
heal.journalName	Adsorption	en
dc.identifier.doi	10.1007/s10450-012-9414-2	en
dc.identifier.spage	1	en
dc.identifier.epage	8	en