Hydrogen adsorption on M-ZSM-12 zeolite clusters (M = K, Na and Li): a density functional theory study
dc.authorid | 0000-0001-6314-3365 | en_US |
dc.contributor.author | Fellah, Mehmet Ferdi | |
dc.date.accessioned | 2021-03-20T20:15:28Z | |
dc.date.available | 2021-03-20T20:15:28Z | |
dc.date.issued | 2014 | |
dc.department | BTÜ, Mühendislik ve Doğa Bilimleri Fakültesi, Kimya Mühendisliği Bölümü | en_US |
dc.description.abstract | The 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.doi | 10.1007/s10934-014-9838-z | en_US |
dc.identifier.endpage | 888 | en_US |
dc.identifier.issn | 1380-2224 | |
dc.identifier.issn | 1573-4854 | |
dc.identifier.issue | 5 | en_US |
dc.identifier.scopusquality | Q2 | en_US |
dc.identifier.startpage | 883 | en_US |
dc.identifier.uri | http://doi.org/10.1007/s10934-014-9838-z | |
dc.identifier.uri | https://hdl.handle.net/20.500.12885/1197 | |
dc.identifier.volume | 21 | en_US |
dc.identifier.wos | WOS:000341840900040 | en_US |
dc.identifier.wosquality | Q3 | en_US |
dc.indekslendigikaynak | Web of Science | en_US |
dc.indekslendigikaynak | Scopus | en_US |
dc.institutionauthor | Fellah, Mehmet Ferdi | |
dc.language.iso | en | en_US |
dc.publisher | Springer | en_US |
dc.relation.ispartof | Journal Of Porous Materials | en_US |
dc.relation.publicationcategory | Makale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı | en_US |
dc.rights | info:eu-repo/semantics/closedAccess | en_US |
dc.subject | Density functional theory | en_US |
dc.subject | Hydrogen adsorption | en_US |
dc.subject | ZSM-12 | en_US |
dc.subject | MTW | en_US |
dc.subject | Alkali metals | en_US |
dc.subject | Lewis acidity | en_US |
dc.title | Hydrogen adsorption on M-ZSM-12 zeolite clusters (M = K, Na and Li): a density functional theory study | en_US |
dc.type | Article | en_US |