Hydrogen adsorption on M-ZSM-12 zeolite clusters (M = K, Na and Li): a density functional theory study

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dc.authorid0000-0001-6314-3365en_US
dc.contributor.authorFellah, Mehmet Ferdi
dc.date.accessioned2021-03-20T20:15:28Z
dc.date.available2021-03-20T20:15:28Z
dc.date.issued2014
dc.departmentBTÜ, Mühendislik ve Doğa Bilimleri Fakültesi, Kimya Mühendisliği Bölümüen_US
dc.description.abstractThe molecular adsorption of hydrogen has been studied theoretically via DFT on additional framework with alkali metal atoms (K, Na and Li) in ZSM-12 zeolite. A 14T channel zeolite cluster model was used. Lewis acidity of alkali metals decreases with increasing atomic radius of alkali metal and H-2 adsorption. Adsorption enthalpy values were computed to be -7.4 and -5.1 kJ/mol on Li- and Na-ZSM-12 clusters, respectively. Hydrogen adsorption enthalpy values for Li- and Na-cases are meaningfully larger than the liquefaction enthalpy of hydrogen molecule. This designates that Li- and Na-ZSM-12 zeolites are potential cryoadsorbent materials for hydrogen storage.en_US
dc.identifier.doi10.1007/s10934-014-9838-zen_US
dc.identifier.endpage888en_US
dc.identifier.issn1380-2224
dc.identifier.issn1573-4854
dc.identifier.issue5en_US
dc.identifier.scopusqualityQ2en_US
dc.identifier.startpage883en_US
dc.identifier.urihttp://doi.org/10.1007/s10934-014-9838-z
dc.identifier.urihttps://hdl.handle.net/20.500.12885/1197
dc.identifier.volume21en_US
dc.identifier.wosWOS:000341840900040en_US
dc.identifier.wosqualityQ3en_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.indekslendigikaynakScopusen_US
dc.institutionauthorFellah, Mehmet Ferdi
dc.language.isoenen_US
dc.publisherSpringeren_US
dc.relation.ispartofJournal Of Porous Materialsen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectDensity functional theoryen_US
dc.subjectHydrogen adsorptionen_US
dc.subjectZSM-12en_US
dc.subjectMTWen_US
dc.subjectAlkali metalsen_US
dc.subjectLewis acidityen_US
dc.titleHydrogen adsorption on M-ZSM-12 zeolite clusters (M = K, Na and Li): a density functional theory studyen_US
dc.typeArticleen_US

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Kimya Mühendisliği Bölümü Yayın Koleksiyonu
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