Experimental and simulation study on structural characterization and hydrogen storage of metal organic structured compounds

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dc.authorid0000-0003-4767-6799
dc.contributor.authorÖztürk, Zeynel
dc.contributor.authorÖzken, Göksel
dc.contributor.authorKöse, Dursun Ali
dc.contributor.authorAsan, Abdurrahman
dc.date.accessioned2019-05-13T08:57:17Z
dc.date.available2019-05-13T08:57:17Z
dc.date.issued2016
dc.departmentHitit Üniversitesi, Fen Edebiyat Fakültesi, Kimya Bölümü
dc.description.abstractOne of the barrier for common usage of hydrogen energy system is storing hydrogen efficiently. Especially for mobile applications, it is very important to store hydrogen in small spaces reversibly. Metal-organic framework (MOF) structured materials step forward with the ability of reversible hydrogen storage which meet the storage targets. The MOF structured compounds were synthesized using Cu(II) and Zn(II) metals, trimesic acid (benzene 1,3,5 tricarboxylic acid) (TMA) and 1,10 phenantroline (Phen) building blocks. The compounds were activated thermally at 398 K for 4 days under a vacuum for sorption experiments. Then, DTA/TGA, FT-IR, powder-XRD, BET surface area and elemental analysis techniques were used to determine the molecular structures of the synthesized compound. Finally, the hydrogen storage properties were measured at 77 K and 1 bar of hydrogen pressure. In addition to experimental investigations, hydrogen adsorption characteristics and performances of the compounds were also determined with the molecular simulation calculations. It is found that the Cu(II) and Zn(II) compounds could uptake 2.652 wt. % (sim. 2.434 wt. %) and 1.383 wt. % (1.187 wt. %) respectively, at 77 K and 1 bar pressure. Consequently, hydrogen adsorption mechanism and capacities of the compounds clarified. And it is found out that the compounds have good storage performance in comparison to the previously reported MOFs. © 2015 Hydrogen Energy Publications LLC.
dc.identifier.citationÖzturk, Z., Özkan, G., Köse, D. A., Asan, A. (2016). Experimental and simulation study on structural characterization and hydrogen storage of metal organic structured compounds. International Journal of Hydrogen Energy, 41(19), 8256-8263.
dc.identifier.doi10.1016/j.ijhydene.2015.11.073
dc.identifier.endpage8263en_US
dc.identifier.issn0360-3199
dc.identifier.issue19en_US
dc.identifier.scopusqualityQ1
dc.identifier.startpage8256en_US
dc.identifier.urihttps://doi.org/10.1016/j.ijhydene.2015.11.073
dc.identifier.urihttps://hdl.handle.net/11491/890
dc.identifier.volume41en_US
dc.identifier.wosqualityN/A
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherElsevier Ltd
dc.relation.ispartofInternational Journal of Hydrogen Energy
dc.relation.publicationcategoryKonferans Öğesi - Uluslararası - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.subjectHydrogen Storageen_US
dc.subjectMOFsen_US
dc.subjectMolecular Simulationen_US
dc.titleExperimental and simulation study on structural characterization and hydrogen storage of metal organic structured compounds
dc.typeConference Object

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