Hydrogen molecule adsorption has been investigated on additional framework of Mg atom in DFT type zeolite by way of Density Functional Theory. The electronegativity, HOMO and LUMO energies chemical hardness, chemical potential, adsorption enthalpy and adsorption energy values have been calculated on a 16T zeolite cluster model and compared with those of Mg exchanged ERI and LTL zeolite structures. Hydrogen adsorption enthalpy value has been computed as -26.2 kJ/ mol. This enthalpy value is meaningfully higher than the hydrogen molecule’s liquefaction enthalpy value. This accordingly specifies that Mg-DFT zeolite structure appears to be an encouraging candidate cryoadsorbent for hydrogen storage.
Birincil Dil | en |
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Bölüm | Research Articles |
Yazarlar |
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Tarihler |
Yayımlanma Tarihi : 26 Aralık 2017 |
Bibtex | @araştırma makalesi { jise449372,
journal = {Journal of Innovative Science and Engineering},
issn = {},
eissn = {2602-4217},
address = {ursa Technical University, Mimar Sinan Campus, Mimar Sinan Mah. Mimar Sinan Blv. Eflak Cad. No:177 16310 Yıldırım, Bursa / Turkey},
publisher = {Bursa Teknik Üniversitesi},
year = {2017},
volume = {1},
pages = {1 - 5},
doi = {},
title = {Hydrogen Adsorption on Mg-DFT Zeolite Cluster: A Density Functional Theory Study},
key = {cite},
author = {Fellah, Mehmet Ferdi}
} |
APA | Fellah, M . (2017). Hydrogen Adsorption on Mg-DFT Zeolite Cluster: A Density Functional Theory Study . Journal of Innovative Science and Engineering , 1 (1) , 1-5 . Retrieved from http://jise.btu.edu.tr/tr/pub/issue/38671/449372 |
MLA | Fellah, M . "Hydrogen Adsorption on Mg-DFT Zeolite Cluster: A Density Functional Theory Study" . Journal of Innovative Science and Engineering 1 (2017 ): 1-5 <http://jise.btu.edu.tr/tr/pub/issue/38671/449372> |
Chicago | Fellah, M . "Hydrogen Adsorption on Mg-DFT Zeolite Cluster: A Density Functional Theory Study". Journal of Innovative Science and Engineering 1 (2017 ): 1-5 |
RIS | TY - JOUR T1 - Hydrogen Adsorption on Mg-DFT Zeolite Cluster: A Density Functional Theory Study AU - Mehmet Ferdi Fellah Y1 - 2017 PY - 2017 N1 - DO - T2 - Journal of Innovative Science and Engineering JF - Journal JO - JOR SP - 1 EP - 5 VL - 1 IS - 1 SN - -2602-4217 M3 - UR - Y2 - 2017 ER - |
EndNote | %0 Journal of Innovative Science and Engineering Hydrogen Adsorption on Mg-DFT Zeolite Cluster: A Density Functional Theory Study %A Mehmet Ferdi Fellah %T Hydrogen Adsorption on Mg-DFT Zeolite Cluster: A Density Functional Theory Study %D 2017 %J Journal of Innovative Science and Engineering %P -2602-4217 %V 1 %N 1 %R %U |
ISNAD | Fellah, Mehmet Ferdi . "Hydrogen Adsorption on Mg-DFT Zeolite Cluster: A Density Functional Theory Study". Journal of Innovative Science and Engineering 1 / 1 (Aralık 2017): 1-5 . |
AMA | Fellah M . Hydrogen Adsorption on Mg-DFT Zeolite Cluster: A Density Functional Theory Study. JISE. 2017; 1(1): 1-5. |
Vancouver | Fellah M . Hydrogen Adsorption on Mg-DFT Zeolite Cluster: A Density Functional Theory Study. Journal of Innovative Science and Engineering. 2017; 1(1): 1-5. |
IEEE | M. Fellah , "Hydrogen Adsorption on Mg-DFT Zeolite Cluster: A Density Functional Theory Study", Journal of Innovative Science and Engineering, c. 1, sayı. 1, ss. 1-5, Ara. 2017 |