Combined experimental and theoretical investigation of characterization and hydrogen storage properties of Zn(II) based complex and composites
[ X ]
Tarih
2015
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
Elsevier Ltd
Erişim Hakkı
info:eu-repo/semantics/closedAccess
Özet
Metal 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.
Açıklama
Anahtar Kelimeler
Composite, Coordination Complex, Hydrogen Storage, Molecular Simulation
Kaynak
International Journal of Hydrogen Energy
WoS Q Değeri
N/A
Scopus Q Değeri
Q1
Cilt
40
Sayı
17
Künye
Öztürk, 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.
