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Study of the Effect of Tetrabutylammonium Halide Aqueous Solutions on the Gas Storage of Methane and Carbon Dioxide

Author

Listed:
  • Parisa Naeiji

    (Department of Chemistry and Biomolecular Sciences, University of Ottawa, Ottawa, ON K1A 0R6, Canada
    School of Chemical and Bioprocess Engineering, University College Dublin, D04 V1W8 Dublin, Ireland)

  • Tom K. Woo

    (Department of Chemistry and Biomolecular Sciences, University of Ottawa, Ottawa, ON K1A 0R6, Canada)

  • Ryo Ohmura

    (Department of Mechanical Engineering, Keio University, 3-14-1 Hiyoshi, Kohoku-Ku, Yokohama 223-8522, Japan)

  • Saman Alavi

    (Department of Chemistry and Biomolecular Sciences, University of Ottawa, Ottawa, ON K1A 0R6, Canada)

Abstract

In this study, the effect of tetrabutylammonium halide aqueous solutions on the gas storage of CH 4 and CO 2 gases were studied with molecular dynamics (MD) simulations. The results show that the surface tension and the gas molecules adsorbed at the interface decreases and increases, respectively, in the presence of TBAX (X: Br, Cl, F) in the aqueous phase compared to pure water at similar gas pressures. Both of these factors may facilitate gas uptake into cages during semi-clathrate hydrate formation. CO 2 showed a stronger intermolecular interaction with the water molecules since it was preferentially adsorbed at the interface, leading to a higher surface density as compared to CH 4 . Moreover, the relative increase in CH 4 adsorption on the surface was because of the hydrophobic interactions between the CH 4 molecules and the n-alkyl chains of the cation. The counter-ions of TBAXs can affect their surface activity. TBAX salts enhance the tetrahedral ordering of water molecules at the interface compared to the bulk, leading to a potential mechanism for forming semi-clathrate hydrates.

Suggested Citation

  • Parisa Naeiji & Tom K. Woo & Ryo Ohmura & Saman Alavi, 2023. "Study of the Effect of Tetrabutylammonium Halide Aqueous Solutions on the Gas Storage of Methane and Carbon Dioxide," Energies, MDPI, vol. 16(13), pages 1-11, June.
    • Handle: RePEc:gam:jeners:v:16:y:2023:i:13:p:5001-:d:1181179
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    References listed on IDEAS

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    1. Zang, Xiaoya & Wang, Jing & He, Yong & Zhou, Xuebing & Liang, Deqing, 2022. "Formation kinetics and microscopic characteristics of synthesized ternary gas mixture hydrates in TBAB aqueous solutions," Energy, Elsevier, vol. 245(C).
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