Observation of the effect of temperature and pressure on the hydrogen adsorption on graphite through molecular dynamics calculation

Muhammad Zaky Rahmatullah; Jaka Fajar Fatriansyah; Donanta Dhaneswara; Rahman Hadi; Billy Adhitya Ramadhan; Muhammad Ihsan Widyantoro

doi:10.1063/5.0115817

Observation of the effect of temperature and pressure on the hydrogen adsorption on graphite through molecular dynamics calculation

Muhammad Zaky Rahmatullah, Jaka Fajar Fatriansyah, Donanta Dhaneswara, Rahman Hadi, Billy Adhitya Ramadhan, Muhammad Ihsan Widyantoro

Department of Metallurgical and Material Engineering

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › peer-review

Abstract

In this growing age, everything that lives in this world needs energy. Energy has many forms. The most widely used non-renewable energy is petroleum, coal, and natural gas, non-renewable energy. Hydrogen is a promising new source of energy, and the choice of hydrogen storage material is crucial. To calculate hydrogen capacity storage in a material, Molecular Dynamics (MD) calculation method can be used. In this research, we conducted MD calculations of hydrogen adsorption on graphite. The temperature variations used in this simulation are 77 K, with the pressure at each temperature are 1 atm, 8 atm, 10 atm, 14 atm, 18 atm, and 20 atm. The MD calculation results are compared to the results from the experimental one. Both shows that the increase of pressure results increase in hydrogen capacity until it reaches absolute pressure to be saturated.

Original language	English
Title of host publication	Advances in Metallurgy and Engineering Materials
Subtitle of host publication	Characterizations and Innovation
Editors	Jaka Fajar Fatriansyah, Deni Ferdian, Wahyuaji Narottama Putra, Akhmad Herman Yuwono, Donanta Dhaneswara, Nofrijon Sofyan
Publisher	American Institute of Physics Inc.
ISBN (Electronic)	9780735444669
DOIs	https://doi.org/10.1063/5.0115817
Publication status	Published - 9 May 2023
Event	International Meeting on Advances in Metallurgy and Materials 2020, i-MAMM 2020 - Virtual, Online Duration: 16 Nov 2020 → 17 Nov 2020

Publication series

Name	AIP Conference Proceedings
Volume	2538
ISSN (Print)	0094-243X
ISSN (Electronic)	1551-7616

Conference

Conference	International Meeting on Advances in Metallurgy and Materials 2020, i-MAMM 2020
City	Virtual, Online
Period	16/11/20 → 17/11/20

UN SDGs

This output contributes to the following UN Sustainable Development Goals (SDGs)

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10.1063/5.0115817

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Rahmatullah, M. Z., Fatriansyah, J. F., Dhaneswara, D., Hadi, R., Ramadhan, B. A., & Widyantoro, M. I. (2023). Observation of the effect of temperature and pressure on the hydrogen adsorption on graphite through molecular dynamics calculation. In J. F. Fatriansyah, D. Ferdian, W. N. Putra, A. H. Yuwono, D. Dhaneswara, & N. Sofyan (Eds.), Advances in Metallurgy and Engineering Materials: Characterizations and Innovation Article 040011 (AIP Conference Proceedings; Vol. 2538). American Institute of Physics Inc.. https://doi.org/10.1063/5.0115817

Rahmatullah, Muhammad Zaky ; Fatriansyah, Jaka Fajar ; Dhaneswara, Donanta et al. / Observation of the effect of temperature and pressure on the hydrogen adsorption on graphite through molecular dynamics calculation. Advances in Metallurgy and Engineering Materials: Characterizations and Innovation. editor / Jaka Fajar Fatriansyah ; Deni Ferdian ; Wahyuaji Narottama Putra ; Akhmad Herman Yuwono ; Donanta Dhaneswara ; Nofrijon Sofyan. American Institute of Physics Inc., 2023. (AIP Conference Proceedings).

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title = "Observation of the effect of temperature and pressure on the hydrogen adsorption on graphite through molecular dynamics calculation",

abstract = "In this growing age, everything that lives in this world needs energy. Energy has many forms. The most widely used non-renewable energy is petroleum, coal, and natural gas, non-renewable energy. Hydrogen is a promising new source of energy, and the choice of hydrogen storage material is crucial. To calculate hydrogen capacity storage in a material, Molecular Dynamics (MD) calculation method can be used. In this research, we conducted MD calculations of hydrogen adsorption on graphite. The temperature variations used in this simulation are 77 K, with the pressure at each temperature are 1 atm, 8 atm, 10 atm, 14 atm, 18 atm, and 20 atm. The MD calculation results are compared to the results from the experimental one. Both shows that the increase of pressure results increase in hydrogen capacity until it reaches absolute pressure to be saturated.",

author = "Rahmatullah, {Muhammad Zaky} and Fatriansyah, {Jaka Fajar} and Donanta Dhaneswara and Rahman Hadi and Ramadhan, {Billy Adhitya} and Widyantoro, {Muhammad Ihsan}",

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doi = "10.1063/5.0115817",

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Rahmatullah, MZ, Fatriansyah, JF , Dhaneswara, D, Hadi, R, Ramadhan, BA & Widyantoro, MI 2023, Observation of the effect of temperature and pressure on the hydrogen adsorption on graphite through molecular dynamics calculation. in JF Fatriansyah, D Ferdian, WN Putra, AH Yuwono, D Dhaneswara & N Sofyan (eds), Advances in Metallurgy and Engineering Materials: Characterizations and Innovation., 040011, AIP Conference Proceedings, vol. 2538, American Institute of Physics Inc., International Meeting on Advances in Metallurgy and Materials 2020, i-MAMM 2020, Virtual, Online, 16/11/20. https://doi.org/10.1063/5.0115817

Observation of the effect of temperature and pressure on the hydrogen adsorption on graphite through molecular dynamics calculation. / Rahmatullah, Muhammad Zaky; Fatriansyah, Jaka Fajar ; Dhaneswara, Donanta et al.
Advances in Metallurgy and Engineering Materials: Characterizations and Innovation. ed. / Jaka Fajar Fatriansyah; Deni Ferdian; Wahyuaji Narottama Putra; Akhmad Herman Yuwono; Donanta Dhaneswara; Nofrijon Sofyan. American Institute of Physics Inc., 2023. 040011 (AIP Conference Proceedings; Vol. 2538).

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › peer-review

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T1 - Observation of the effect of temperature and pressure on the hydrogen adsorption on graphite through molecular dynamics calculation

AU - Rahmatullah, Muhammad Zaky

AU - Fatriansyah, Jaka Fajar

AU - Dhaneswara, Donanta

AU - Hadi, Rahman

AU - Ramadhan, Billy Adhitya

AU - Widyantoro, Muhammad Ihsan

PY - 2023/5/9

Y1 - 2023/5/9

N2 - In this growing age, everything that lives in this world needs energy. Energy has many forms. The most widely used non-renewable energy is petroleum, coal, and natural gas, non-renewable energy. Hydrogen is a promising new source of energy, and the choice of hydrogen storage material is crucial. To calculate hydrogen capacity storage in a material, Molecular Dynamics (MD) calculation method can be used. In this research, we conducted MD calculations of hydrogen adsorption on graphite. The temperature variations used in this simulation are 77 K, with the pressure at each temperature are 1 atm, 8 atm, 10 atm, 14 atm, 18 atm, and 20 atm. The MD calculation results are compared to the results from the experimental one. Both shows that the increase of pressure results increase in hydrogen capacity until it reaches absolute pressure to be saturated.

AB - In this growing age, everything that lives in this world needs energy. Energy has many forms. The most widely used non-renewable energy is petroleum, coal, and natural gas, non-renewable energy. Hydrogen is a promising new source of energy, and the choice of hydrogen storage material is crucial. To calculate hydrogen capacity storage in a material, Molecular Dynamics (MD) calculation method can be used. In this research, we conducted MD calculations of hydrogen adsorption on graphite. The temperature variations used in this simulation are 77 K, with the pressure at each temperature are 1 atm, 8 atm, 10 atm, 14 atm, 18 atm, and 20 atm. The MD calculation results are compared to the results from the experimental one. Both shows that the increase of pressure results increase in hydrogen capacity until it reaches absolute pressure to be saturated.

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BT - Advances in Metallurgy and Engineering Materials

A2 - Fatriansyah, Jaka Fajar

A2 - Ferdian, Deni

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A2 - Dhaneswara, Donanta

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PB - American Institute of Physics Inc.

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Y2 - 16 November 2020 through 17 November 2020

ER -

Rahmatullah MZ, Fatriansyah JF , Dhaneswara D, Hadi R, Ramadhan BA, Widyantoro MI. Observation of the effect of temperature and pressure on the hydrogen adsorption on graphite through molecular dynamics calculation. In Fatriansyah JF, Ferdian D, Putra WN, Yuwono AH, Dhaneswara D, Sofyan N, editors, Advances in Metallurgy and Engineering Materials: Characterizations and Innovation. American Institute of Physics Inc. 2023. 040011. (AIP Conference Proceedings). doi: 10.1063/5.0115817

Observation of the effect of temperature and pressure on the hydrogen adsorption on graphite through molecular dynamics calculation

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