Investigation of Temperature and Pressure Effect on the Hydrogen Sorption Kinetics in the Interface of Mg/MgH2 by Molecular Dynamics
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Date
2022
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International Association for Hydrogen Energy, IAHE
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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.
Description
BAU; et al.; INOGEN; Republic of Turkey, Ministry of Energy and Natural Resources; TENMARK; Turkish Airlines
Keywords
Hcp Magnesium, Hydrogen Sorption Kinetics, Magnesium Hydride, Molecular Dynamics, Desorption, Hydrides, Kinetics, Magnesium Compounds, Pressure Effects, Crystallographic Orientations, Dynamics Simulation, Hcp Magnesium, Highest Temperature, Hydrogen Desorption, Hydrogen Sorption Kinetics, Magnesium Atom, Orientation Changes, Recrystallisation, Temperature and Pressures, Molecular Dynamics
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-- 23rd World Hydrogen Energy Conference: Bridging Continents by H2, WHEC 2022 -- Istanbul; Istanbul Congress Center -- 186176
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Start Page
475
End Page
477
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