Year 2017, Volume 1 , Issue 1, Pages 1 - 5 2017-12-26

Hydrogen Adsorption on Mg-DFT Zeolite Cluster: A Density Functional Theory Study

Mehmet Ferdi FELLAH [1]


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. 

Hydrogen adsorption, DFT zeolite, Mg atom, DFT
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Primary Language en
Journal Section Research Articles
Authors

Author: Mehmet Ferdi FELLAH (Primary Author)
Institution: BURSA TECHNICAL UNIVERSITY
Country: Turkey


Dates

Publication Date : December 26, 2017

Bibtex @research article { jise449372, journal = {Journal of Innovative Science and Engineering (JISE)}, 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 Technical University}, 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 (JISE) , 1 (1) , 1-5 . Retrieved from http://jise.btu.edu.tr/en/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 (JISE) 1 (2017 ): 1-5 <http://jise.btu.edu.tr/en/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 (JISE) 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 (JISE) 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 (JISE) 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 (JISE) %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 (JISE) 1 / 1 (December 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 (JISE). 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 (JISE), vol. 1, no. 1, pp. 1-5, Dec. 2017