Dynamics of propene and propane in ZIF-8 probed by solid-state 2H NMR

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Dynamics of propene and propane in ZIF-8 probed by solid-state ²H NMR. / Khudozhitkov, Alexander E.; Arzumanov, Sergei S.; Kolokolov, Daniil I. et al.

In: Physical Chemistry Chemical Physics, Vol. 22, No. 10, 14.03.2020, p. 5976-5984.

Research output: Contribution to journal › Article › peer-review

BibTeX

@article{ceaa97e4ef8347a4b20e3ccdeffcb21a,

title = "Dynamics of propene and propane in ZIF-8 probed by solid-state 2H NMR",

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).",

keywords = "METAL-ORGANIC FRAMEWORKS, ZEOLITIC IMIDAZOLATE FRAMEWORKS, LIGHT-HYDROCARBONS, SEPARATION, DIFFUSION, ADSORPTION, ETHENE/ETHANE, TEMPERATURE, MIXTURES, MOBILITY",

author = "Khudozhitkov, {Alexander E.} and Arzumanov, {Sergei S.} and Kolokolov, {Daniil I.} and Dieter Freude and Stepanov, {Alexander G.}",

year = "2020",

month = mar,

day = "14",

doi = "10.1039/d0cp00270d",

language = "English",

volume = "22",

pages = "5976--5984",

journal = "Physical Chemistry Chemical Physics",

issn = "1463-9076",

publisher = "Royal Society of Chemistry",

number = "10",

}

RIS

TY - JOUR

T1 - Dynamics of propene and propane in ZIF-8 probed by solid-state 2H NMR

AU - Khudozhitkov, Alexander E.

AU - Arzumanov, Sergei S.

AU - Kolokolov, Daniil I.

AU - Freude, Dieter

AU - Stepanov, Alexander G.

PY - 2020/3/14

Y1 - 2020/3/14

N2 - 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).

AB - 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).

KW - METAL-ORGANIC FRAMEWORKS

KW - ZEOLITIC IMIDAZOLATE FRAMEWORKS

KW - LIGHT-HYDROCARBONS

KW - SEPARATION

KW - DIFFUSION

KW - ADSORPTION

KW - ETHENE/ETHANE

KW - TEMPERATURE

KW - MIXTURES

KW - MOBILITY

UR - http://www.scopus.com/inward/record.url?scp=85081733060&partnerID=8YFLogxK

U2 - 10.1039/d0cp00270d

DO - 10.1039/d0cp00270d

M3 - Article

C2 - 32123893

AN - SCOPUS:85081733060

VL - 22

SP - 5976

EP - 5984

JO - Physical Chemistry Chemical Physics

JF - Physical Chemistry Chemical Physics

SN - 1463-9076

IS - 10

ER -

ID: 23802434