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Injecting CO2 into geological formations is an emerging method for enhancing geo-storage security. The effectiveness of such projects heavily relies on understanding rock wettability and interfacial interactions, which influence capillary pressure and, consequently, caprock integrity (structural trapping) and residual trapping processes. This review focuses on the CO2–brine–rock wettability and interfacial tension under varying temperature, pressure, and salinity conditions, using both experimental techniques and Molecular Dynamics (MD) simulations. Comparison with experimental data from the literature reveals correlations between contact angles and parameters such as pressure and salinity, with a general trend of decreasing contact angles with increasing temperature. However, inconsistencies in temperature-dependent behavior across datasets were observed. MD simulations provide a promising route for reconciling discrepancies between experimental measurements, particularly regarding contact angles, and enhancing fluid-rock interaction insights.

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A Review of Influencing Parameters on Interfacial Properties in Rock–CO2–Brine Systems: Molecular Dynamic Perspective

  • 会议论文

  • 发表日期：

    2026年

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  • Muhammad Jawad Khan,
  • Syed Mohammad Mahmood,
  • Mian Umer Shafiq,
  • Syahrir Ridha,
  • Numair Ahmed Siddiqui,
  • Fahd Saeed Alakbari

摘要

Injecting CO2 into geological formations is an emerging method for enhancing geo-storage security. The effectiveness of such projects heavily relies on understanding rock wettability and interfacial interactions, which influence capillary pressure and, consequently, caprock integrity (structural trapping) and residual trapping processes. This review focuses on the CO2–brine–rock wettability and interfacial tension under varying temperature, pressure, and salinity conditions, using both experimental techniques and Molecular Dynamics (MD) simulations. Comparison with experimental data from the literature reveals correlations between contact angles and parameters such as pressure and salinity, with a general trend of decreasing contact angles with increasing temperature. However, inconsistencies in temperature-dependent behavior across datasets were observed. MD simulations provide a promising route for reconciling discrepancies between experimental measurements, particularly regarding contact angles, and enhancing fluid-rock interaction insights.