Dynamics of Propene and Propane in ZIF-8 Probed by Solid-State 2H NMR | Sciact - CRIS-system of Boreskov Institute of Catalysis

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

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.

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

Full text from publisher

Submitted:	Jan 16, 2020
Accepted:	Feb 21, 2020
Published online:	Feb 21, 2020
Published print:	Mar 14, 2020

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

DB	Citing
Scopus	17
Web of science	17
Elibrary	14
OpenAlex	18