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Molecular Insight Into the Replacement Behavior of CO2 CH4 Hydrate in Porous Media: Implications for CH4 Recovery and CO2 Storage

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  • Xuemin Zhang
  • Yetao Zhang
  • Tingting Huang
  • Tao Shao
  • Hongbin Song
  • Wenqiang Cui
  • Jinping Li
  • Qingbai Wu
  • Peng Zhang

Abstract

CO2 replacement method is an auspicious method for the CH4 extraction from gas hydrate and the CO2 geological storage into sediments. The replacement of CO2 CH4 hydrate in porous medium system is jointly affected by many factors such as heat transfer, mass transfer, and reaction. It is of great significance to deeply understand the mechanism and dynamics of different factors influencing the replacement characteristics of CO2 CH4 hydrate in porous media. In this study, the molecular dynamics simulation method was employed to study the replacement characteristics and kinetic process of CO2 CH4 hydrate in porous medium system with varying conditions expecting to offer significant theoretical direction and a point of reference for the CO2 replacement method of natural gas hydrate extraction in permafrost regions in reality. The quantitative influence and internal mechanism of different factors on the replacement process of CO2 CH4 hydrate were revealed. The results show that, in the porous medium system, when the temperature was ranged of 265–270 K and the pressure was ranged of 10–20 MPa, the replacement effect of CO2 CH4 hydrate is the best under the initial concentration of CO2 of 100%. It was further indicated that the replacement effect is appropriate when the initial concentration of CO2 was ranged of 40%–60% under the case of 265 K and 10 MPa. Moreover, the result also indicated that the effects of some certain factors, including temperature, pressure, and initial concentration of CO2 on the replacement process of CO2 CH4 hydrate, exist slightly different. Owing to the adsorption effect of porous media on CO2 molecules, it reduced the replacement efficiency between CO2 CH4 hydrate. Additionally, the initial concentration of CO2 imposed a more significant influence on the replacement of CO2 CH4 hydrate in porous medium system considering the adsorption effect of porous. It does not mean that the higher the initial concentration of CO2, the better the replacement effect of hydrate. The diffusion capacity of CO2 depends on the concentration of H2O molecules and the adsorption effect of porous media.

Suggested Citation

  • Xuemin Zhang & Yetao Zhang & Tingting Huang & Tao Shao & Hongbin Song & Wenqiang Cui & Jinping Li & Qingbai Wu & Peng Zhang, 2025. "Molecular Insight Into the Replacement Behavior of CO2 CH4 Hydrate in Porous Media: Implications for CH4 Recovery and CO2 Storage," Greenhouse Gases: Science and Technology, Blackwell Publishing, vol. 15(2), pages 248-263, April.
    • Handle: RePEc:wly:greenh:v:15:y:2025:i:2:p:248-263
    DOI: 10.1002/ghg.2337
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    References listed on IDEAS

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