Combined experimental and theoretical investigation of characterization and hydrogen storage properties of Zn(II) based complex and composites

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dc.authorid0000-0003-4767-6799
dc.contributor.authorÖztürk, Zeynel
dc.contributor.authorÖzkan, Göksel
dc.contributor.authorAsan, Abdurrahman
dc.contributor.authorKöse, Dursun Ali
dc.date.accessioned2019-05-13T08:57:18Z
dc.date.available2019-05-13T08:57:18Z
dc.date.issued2015
dc.departmentHitit Üniversitesi, Fen Edebiyat Fakültesi, Kimya Bölümü
dc.description.abstractMetal organic structured coordination complex was synthesized by using Zn(II), 1,10 Phenantroline and teraphtalic acid building blocks. Then the synthesized compound have been characterized with Ft-IR, TGA/DTA/DrTGA, EA, SEM, surface area analysis and PXRD techniques. After that, the composites have been prepared with the Pt loaded activated carbon additive. Also, all the adsorbents were simulated by using Materials Studio 7.1 (MS); Amorphous Cell module and Atom volumes & Surfaces tool as a visualizer. Then hydrogen storage properties of simulated adsorbents were calculated by using the Sorption module of MS. It is found that the compound and its composites could uptake hydrogen with the capacity in 0.4-0.6 wt.% range experimentally at 77 K and 1 bar pressure while the range was 0.25-0.50 wt.% theoretically at the same conditions. Maximum hydrogen uptake have been observed by using additive free compound which was 0.594 wt.% experimentally at 77 K and 1 bar. Simulated hydrogen adsorption performances were 0.51 and 0.57 wt.% at 77 K, 1 and 100 bar respectively for additive free compound. © 2015 Hydrogen Energy Publications, LLC.
dc.identifier.citationÖztürk, Z., Özkan, G., Asan, A., Köse, D. A. (2015). Combined experimental and theoretical investigation of characterization and hydrogen storage properties of Zn (II) based complex and composites. International Journal of Hydrogen Energy, 40(17), 5907-5915.
dc.identifier.doi10.1016/j.ijhydene.2015.03.033
dc.identifier.endpage5915en_US
dc.identifier.issn0360-3199
dc.identifier.issue17en_US
dc.identifier.scopusqualityQ1
dc.identifier.startpage5907en_US
dc.identifier.urihttps://doi.org/10.1016/j.ijhydene.2015.03.033
dc.identifier.urihttps://hdl.handle.net/11491/894
dc.identifier.volume40en_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.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.subjectCompositeen_US
dc.subjectCoordination Complexen_US
dc.subjectHydrogen Storageen_US
dc.subjectMolecular Simulationen_US
dc.titleCombined experimental and theoretical investigation of characterization and hydrogen storage properties of Zn(II) based complex and composites
dc.typeArticle

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