TY - GEN
T1 - Molecular dynamics simulation of hydrogen adsorption on graphene oxide
AU - Fatriansyah, Jaka Fajar
AU - Ramadhan, Billy Adhitya
AU - Dhaneswara, Donanta
AU - Hadi, Rahman
AU - Rahmatullah, Muhammad Zaky
AU - Widyantoro, Muhammad Ihsan
N1 - Publisher Copyright:
© 2023 Author(s).
PY - 2023/5/9
Y1 - 2023/5/9
N2 - Hydrogen is one of the abundant elements on earth. Due to its abundant availability and ability to produce energy sources without producing air and water pollution, Hydrogen is projected as a future energy source. Nevertheless, the selection of materials for hydrogen storage media is significant because Hydrogen in the gas phase is a reactive molecule that requires storage with the right material. Aside from safety factors, the effectiveness of Hydrogen adsorption onto the surface of the material is also the main focus. Therefore graphene oxide was chosen; graphene oxide is a sheet formed from a single layer of graphite oxide, which is easy to synthesize, which has good electric and optical properties. The advantages of using graphene oxide material are lower price than pure graphene and available in large quantities. The gases that can be absorbed by this material include H2, CH4, CO2, N2, NH3, NO2, H2S, and SO2. Research conducted in this simulation makes it possible to test the effectiveness of adsorption with a wider variety of temperatures and pressures and uses a relatively lower cost compared to experimental research. Then the research conducted by the author uses the Molecular Dynamics (MD) Simulation method. The temperature used is 77 K, and the pressure used is 1 bar in a constant system. The results obtained were compared with the experimental results. Both show that, as pressure increases, the hydrogen capacity increases until it reaches saturation in a certain pressure.
AB - Hydrogen is one of the abundant elements on earth. Due to its abundant availability and ability to produce energy sources without producing air and water pollution, Hydrogen is projected as a future energy source. Nevertheless, the selection of materials for hydrogen storage media is significant because Hydrogen in the gas phase is a reactive molecule that requires storage with the right material. Aside from safety factors, the effectiveness of Hydrogen adsorption onto the surface of the material is also the main focus. Therefore graphene oxide was chosen; graphene oxide is a sheet formed from a single layer of graphite oxide, which is easy to synthesize, which has good electric and optical properties. The advantages of using graphene oxide material are lower price than pure graphene and available in large quantities. The gases that can be absorbed by this material include H2, CH4, CO2, N2, NH3, NO2, H2S, and SO2. Research conducted in this simulation makes it possible to test the effectiveness of adsorption with a wider variety of temperatures and pressures and uses a relatively lower cost compared to experimental research. Then the research conducted by the author uses the Molecular Dynamics (MD) Simulation method. The temperature used is 77 K, and the pressure used is 1 bar in a constant system. The results obtained were compared with the experimental results. Both show that, as pressure increases, the hydrogen capacity increases until it reaches saturation in a certain pressure.
UR - http://www.scopus.com/inward/record.url?scp=85160103171&partnerID=8YFLogxK
U2 - 10.1063/5.0115896
DO - 10.1063/5.0115896
M3 - Conference contribution
AN - SCOPUS:85160103171
T3 - AIP Conference Proceedings
BT - Advances in Metallurgy and Engineering Materials
A2 - Fatriansyah, Jaka Fajar
A2 - Ferdian, Deni
A2 - Putra, Wahyuaji Narottama
A2 - Yuwono, Akhmad Herman
A2 - Dhaneswara, Donanta
A2 - Sofyan, Nofrijon
PB - American Institute of Physics Inc.
T2 - International Meeting on Advances in Metallurgy and Materials 2020, i-MAMM 2020
Y2 - 16 November 2020 through 17 November 2020
ER -