Investigation of Temperature and Pressure Effect on the Hydrogen Sorption Kinetics in the Interface of Mg/MgH2 by Molecular Dynamics
| dc.contributor.author | Kapci, Mehmet Fazil | |
| dc.contributor.author | Wu, Zhen | |
| dc.contributor.author | Bal, Burak | |
| dc.date.accessioned | 2025-09-25T10:49:36Z | |
| dc.date.available | 2025-09-25T10:49:36Z | |
| dc.date.issued | 2022 | |
| dc.description | BAU; et al.; INOGEN; Republic of Turkey, Ministry of Energy and Natural Resources; TENMARK; Turkish Airlines | en_US |
| dc.description.abstract | Molecular dynamics simulations were performed in order to analyze the hydrogen sorption kinetics between αMgH<inf>2</inf> and hcp Mg structures under different temperatures and pressures. Results showed that hydrogen desorption from magnesium hydride and absorption by hcp magnesium increase at the higher temperatures. During the hydrogen desorption from magnesium hydride and absorption into hcp magnesium, crystallographic orientation change in the magnesium atoms was observed. At 400 °C, the pressure was found to have a negative impact during the hydrogen desorption from magnesium hydride due to the prevention of recrystallization. © 2023 Elsevier B.V., All rights reserved. | en_US |
| dc.identifier.isbn | 9786250008430 | |
| dc.identifier.scopus | 2-s2.0-85147194216 | |
| dc.identifier.uri | https://hdl.handle.net/20.500.12573/4061 | |
| dc.language.iso | en | en_US |
| dc.publisher | International Association for Hydrogen Energy, IAHE | en_US |
| dc.relation.ispartof | -- 23rd World Hydrogen Energy Conference: Bridging Continents by H2, WHEC 2022 -- Istanbul; Istanbul Congress Center -- 186176 | en_US |
| dc.rights | info:eu-repo/semantics/closedAccess | en_US |
| dc.subject | Hcp Magnesium | en_US |
| dc.subject | Hydrogen Sorption Kinetics | en_US |
| dc.subject | Magnesium Hydride | en_US |
| dc.subject | Molecular Dynamics | en_US |
| dc.subject | Desorption | en_US |
| dc.subject | Hydrides | en_US |
| dc.subject | Kinetics | en_US |
| dc.subject | Magnesium Compounds | en_US |
| dc.subject | Pressure Effects | en_US |
| dc.subject | Crystallographic Orientations | en_US |
| dc.subject | Dynamics Simulation | en_US |
| dc.subject | Hcp Magnesium | en_US |
| dc.subject | Highest Temperature | en_US |
| dc.subject | Hydrogen Desorption | en_US |
| dc.subject | Hydrogen Sorption Kinetics | en_US |
| dc.subject | Magnesium Atom | en_US |
| dc.subject | Orientation Changes | en_US |
| dc.subject | Recrystallisation | en_US |
| dc.subject | Temperature and Pressures | en_US |
| dc.subject | Molecular Dynamics | en_US |
| dc.title | Investigation of Temperature and Pressure Effect on the Hydrogen Sorption Kinetics in the Interface of Mg/MgH2 by Molecular Dynamics | en_US |
| dc.type | Conference Object | en_US |
| dspace.entity.type | Publication | |
| gdc.author.institutional | Bal, Burak | |
| gdc.author.scopusid | 57204244027 | |
| gdc.author.scopusid | 54396515400 | |
| gdc.author.scopusid | 56181847200 | |
| gdc.description.department | Abdullah Gül University | en_US |
| gdc.description.departmenttemp | [Kapci] Mehmet Fazil, School of Chemical Engineering and Technology, Xi'an Jiaotong University, Xi'an, China, Department of Mechanical Engineering, Abdullah Gül Üniversitesi, Kayseri, Turkey; [Wu] Zhen, School of Chemical Engineering and Technology, Xi'an Jiaotong University, Xi'an, China; [Bal] Burak, Department of Mechanical Engineering, Abdullah Gül Üniversitesi, Kayseri, Turkey | en_US |
| gdc.description.endpage | 477 | en_US |
| gdc.description.publicationcategory | Konferans Öğesi - Uluslararası - Kurum Öğretim Elemanı | en_US |
| gdc.description.scopusquality | N/A | |
| gdc.description.startpage | 475 | en_US |
| gdc.description.wosquality | N/A | |
| gdc.scopus.citedcount | 0 | |
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