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Dynamics of Propene and Propane in ZIF-8 Probed by Solid-State 2H NMR Full article

Journal PCCP: Physical Chemistry Chemical Physics
ISSN: 1463-9076 , E-ISSN: 1463-9084
Output data Year: 2020, Volume: 22, Number: 10, Pages: 5976-5984 Pages count : 9 DOI: 10.1039/d0cp00270d
Tags METAL-ORGANIC FRAMEWORKS; ZEOLITIC IMIDAZOLATE FRAMEWORKS; LIGHT-HYDROCARBONS; SEPARATION; DIFFUSION; ADSORPTION; ETHENE/ETHANE; TEMPERATURE; MIXTURES; MOBILITY
Authors Khudozhitkov Alexander E. 1,2 , Arzumanov Sergei S. 1,2 , Kolokolov Daniil I. 1,2 , Freude Dieter 3 , Stepanov Alexander G. 1
Affiliations
1 Boreskov Institute of Catalysis, Siberian Branch of Russian Academy of Sciences, Prospekt Akademika Lavrentieva 5, Novosibirsk 630090, Russia
2 Novosibirsk State University, Pirogova Street 2, Novosibirsk 630090, Russia
3 Fakultät für Physik und Geowissenschaften, Universität Leipzig, Linnéstr. 5, 04103 Leipzig, Germany

Funding (4)

1 German Research Foundation HA 1893/22-1
2 Federal Agency for Scientific Organizations 0303-2016-0003
3 Russian Foundation for Basic Research 18-29-04009
4 Russian Foundation for Basic Research 18-33-00048

Abstract: We present a detailed 2H NMR characterization of molecular mobility of propene and propane propagating though the microporous ZIF-8, a zeolitic imidazolate framework renowned for its outstandingly high separation selectivity for industrially relevant propene/propane mixtures. Experimental characterization of both propene and propane diffusivity in ZIF-8 has been provided. Using 2H NMR spin relaxation analysis, the motional mechanisms for propene and propane guests trapped within the ZIF-8 framework have been elucidated. Kinetic parameters for each type of motion were derived. The characteristic times for microscopic translational diffusion and activation barriers (EC3H8 = 38 kJ mol-1, EC3H6 = 13.5 kJ mol-1) for propane and propene diffusivities have been estimated. A notable difference in the observed activation barriers emphasizes that the ZIF-8 window crossing is associated with the "gate-opening" and represents an extremely shape selective process. Finally, we show that the 2H NMR technique is capable of providing reliable information on microscopic diffusivity in the ZIF-8 MOF even for molecules with slow diffusivity (<10-14 m2 s-1). This journal is © the Owner Societies.
Cite: Khudozhitkov A.E. , Arzumanov S.S. , Kolokolov D.I. , Freude D. , Stepanov A.G.
Dynamics of Propene and Propane in ZIF-8 Probed by Solid-State 2H NMR
PCCP: Physical Chemistry Chemical Physics. 2020. V.22. N10. P.5976-5984. DOI: 10.1039/d0cp00270d WOS Scopus РИНЦ ANCAN PMID OpenAlex
Files: Full text from publisher
Dates:
Submitted: Jan 16, 2020
Accepted: Feb 21, 2020
Published online: Feb 21, 2020
Published print: Mar 14, 2020
Identifiers:
Web of science: WOS:000528810000056
Scopus: 2-s2.0-85081733060
Elibrary: 43251694
Chemical Abstracts: 2020:348041
Chemical Abstracts (print): 172:316940
PMID: 32123893
OpenAlex: W3103118897
Citing:
DB Citing
Scopus 17
Web of science 17
Elibrary 14
OpenAlex 18
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