Diffusion of CH4 and H2 in ZIF-8

Loreen Hertäg; Helge Bux; Jürgen Caro; Christian Chmelik; Tawun Remsungnen; Markus Knauth; Siegfried Fritzsche

doi:10.1016/j.memsci.2011.01.019

Diffusion of CH₄ and H₂ in ZIF-8

Loreen Hertäg, Helge Bux, Jürgen Caro, Christian Chmelik, Tawun Remsungnen, Markus Knauth^*, Siegfried Fritzsche

^*Korrespondierende*r Autor*in für diese Arbeit

Institut für Physikalische Chemie und Elektrochemie

Publikation: Beitrag in Fachzeitschrift › Artikel › Forschung › Peer-Review

Abstract

Initiated by separation factors of up to 15 between CH₄ and H₂ found in experiments of gas mixture permeation through a newly developed ZIF-8 membrane the diffusion of CH₄ and H₂ in ZIF-8 has been investigated by IR microscopy and molecular dynamics simulations. Several well known interaction parameter sets for simulations have been tested. It turned out that the H₂/CH₄-ZIF-8 system is very sensitive with respect to the choice of these parameters. The large differences in the diffusion behavior of CH₄ and H₂ are investigated by microscopic simulation tools and compared with experiments. A parameter set has been found that gives reasonable agreement with experimental IR and membrane permeation results.

Originalsprache	Englisch
Seiten (von - bis)	36-41
Seitenumfang	6
Fachzeitschrift	Journal of membrane science
Jahrgang	377
Ausgabenummer	1-2
Elektronisch veröffentlicht (E-Pub)	22 Jan. 2011
DOIs	https://doi.org/10.1016/j.memsci.2011.01.019
Publikationsstatus	Veröffentlicht - 15 Juli 2011

ASJC Scopus Sachgebiete

Biochemie
Allgemeine Materialwissenschaften
Physikalische und Theoretische Chemie
Filtration und Separation

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10.1016/j.memsci.2011.01.019

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AU - Hertäg, Loreen

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AU - Caro, Jürgen

AU - Chmelik, Christian

AU - Remsungnen, Tawun

AU - Knauth, Markus

AU - Fritzsche, Siegfried

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