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H2, CO2, and CH4 Adsorption Potential of Graphite: Implications for Gas Separation Membrane Technology.

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Title: H2, CO2, and CH4 Adsorption Potential of Graphite: Implications for Gas Separation Membrane Technology.
Authors: Raza, Arshad1 (AUTHOR) arshad.raza@kfupm.edu.sa, Alafnan, Saad1 (AUTHOR), Mahmoud, Mohamed1 (AUTHOR) mmahmoud@kfupm.edu.sa, Glatz, Guenther2 (AUTHOR), Kamal, Muhammad Shahzad3 (AUTHOR)
Source: Arabian Journal for Science & Engineering (Springer Science & Business Media B.V. ). Dec2025, Vol. 50 Issue 24, p21433-21444. 12p.
Subjects: Graphite, Carbon dioxide, Molecular dynamics, Physisorption, Separation of gases, Artificial membranes, Hydrogen, Methane
Abstract: Graphite has the potential to act as membrane for gas separation in the petroleum industry. Unconventional sources such as petroleum reservoirs that have in situ hydrogen (H2) production or depleted gas reservoirs where H2 is stored after extraction are often contaminated with CH4 and CO2. A green downhole wellbore membrane for H2 separation would eliminate CO2 and other gases hence resulting in better economics. Currently, not much attention has been given to how various sizes of pores affect gas (CO2, H2, and CH4) adsorption on graphite. To investigate adsorption behavior of hydrogen (H2), carbon dioxide (CO2), and methane (CH4) on graphite with different pore sizes at different pressures ranging from 2.75 to 41.3 MPa as well as temperatures between 373 and 423 K, we conducted molecular dynamics simulation. It was found that there exists a direct relationship between adsorption capacity with pressure and pore size and indirectly with temperature. The maximum adsorption capacity for CO2, CH4, and H2 in 8 nm graphite at 41.3 MPa and 373 K was 95 mol/Kg, 40 mol/kg, and 25.7 mol/kg, respectively. In all graphite pore sizes, the adsorption followed the trend: CO2 > CH4 > H2. With respect to pore size, regardless of pressure and temperature, adsorption was ranked as 8 nm > 4 nm > 2 nm. This is attributed to the larger pore and molecular size of CO2, which increases its affinity toward graphite. The Langmuir model has a good fit for predicting hydrogen and methane adsorption capacity and was found to be less accurate, however, for CO2 for any temperature. These findings provide a preliminary dataset on the gas adsorption affinity of graphite and have potential implications for gas separation membrane technology. [ABSTRACT FROM AUTHOR]
Copyright of Arabian Journal for Science & Engineering (Springer Science & Business Media B.V. ) is the property of Springer Nature and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)
Database: Engineering Source
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  Data: <searchLink fieldCode="DE" term="%22Graphite%22">Graphite</searchLink><br /><searchLink fieldCode="DE" term="%22Carbon+dioxide%22">Carbon dioxide</searchLink><br /><searchLink fieldCode="DE" term="%22Molecular+dynamics%22">Molecular dynamics</searchLink><br /><searchLink fieldCode="DE" term="%22Physisorption%22">Physisorption</searchLink><br /><searchLink fieldCode="DE" term="%22Separation+of+gases%22">Separation of gases</searchLink><br /><searchLink fieldCode="DE" term="%22Artificial+membranes%22">Artificial membranes</searchLink><br /><searchLink fieldCode="DE" term="%22Hydrogen%22">Hydrogen</searchLink><br /><searchLink fieldCode="DE" term="%22Methane%22">Methane</searchLink>
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  Data: Graphite has the potential to act as membrane for gas separation in the petroleum industry. Unconventional sources such as petroleum reservoirs that have in situ hydrogen (H2) production or depleted gas reservoirs where H2 is stored after extraction are often contaminated with CH4 and CO2. A green downhole wellbore membrane for H2 separation would eliminate CO2 and other gases hence resulting in better economics. Currently, not much attention has been given to how various sizes of pores affect gas (CO2, H2, and CH4) adsorption on graphite. To investigate adsorption behavior of hydrogen (H2), carbon dioxide (CO2), and methane (CH4) on graphite with different pore sizes at different pressures ranging from 2.75 to 41.3 MPa as well as temperatures between 373 and 423 K, we conducted molecular dynamics simulation. It was found that there exists a direct relationship between adsorption capacity with pressure and pore size and indirectly with temperature. The maximum adsorption capacity for CO2, CH4, and H2 in 8 nm graphite at 41.3 MPa and 373 K was 95 mol/Kg, 40 mol/kg, and 25.7 mol/kg, respectively. In all graphite pore sizes, the adsorption followed the trend: CO2 > CH4 > H2. With respect to pore size, regardless of pressure and temperature, adsorption was ranked as 8 nm > 4 nm > 2 nm. This is attributed to the larger pore and molecular size of CO2, which increases its affinity toward graphite. The Langmuir model has a good fit for predicting hydrogen and methane adsorption capacity and was found to be less accurate, however, for CO2 for any temperature. These findings provide a preliminary dataset on the gas adsorption affinity of graphite and have potential implications for gas separation membrane technology. [ABSTRACT FROM AUTHOR]
– Name: AbstractSuppliedCopyright
  Label:
  Group: Ab
  Data: <i>Copyright of Arabian Journal for Science & Engineering (Springer Science & Business Media B.V. ) is the property of Springer Nature and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract.</i> (Copyright applies to all Abstracts.)
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        Value: 10.1007/s13369-025-10537-8
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      – Code: eng
        Text: English
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        PageCount: 12
        StartPage: 21433
    Subjects:
      – SubjectFull: Graphite
        Type: general
      – SubjectFull: Carbon dioxide
        Type: general
      – SubjectFull: Molecular dynamics
        Type: general
      – SubjectFull: Physisorption
        Type: general
      – SubjectFull: Separation of gases
        Type: general
      – SubjectFull: Artificial membranes
        Type: general
      – SubjectFull: Hydrogen
        Type: general
      – SubjectFull: Methane
        Type: general
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      – TitleFull: H2, CO2, and CH4 Adsorption Potential of Graphite: Implications for Gas Separation Membrane Technology.
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              Text: Dec2025
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              Y: 2025
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