Microscale interaction mechanism between shale oil and CO2 in mixed wettability nanopores

Fengjiao Wang, Xianghao Meng, He Xu, Yikun Liu, Yikun Liu

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Abstract


Microscale interactions are pronounced in shale nanopores, while the relevant mechanisms between multiphase fluids remain unclear at present. In this paper, the CO2 displacement process in shale porous media with mixed wettability is simulated, with the aim to reveal the microscopic interphase mechanisms and assess CO2 displacement efficiency and storage performance. The results indicate that in the initial state, under the predominant effect of van der Waals forces, oil molecules are present in adsorbed and free states, while water molecules exist as films and clusters in the three types of channels, driven by the combined action of van der Waals forces, Coulomb forces and hydrogen bonds. During the displacement process, CO2 preferentially enters hydrophilic channels, followed by mixed-wetting channels, and finally lipophilic channels. Instantaneous dipole moments between non-polar molecules make van der Waals forces the dominant factor in mutual miscibility. The permanent dipole of polar molecules and the induced dipole of nonpolar molecules synergistically enhance the contribution of Coulomb force during the competitive adsorption process. However, the presence of “water bridge” within mixedwetting channels significantly inhibits CO2 penetration and impairs oil stripping. The final displacement efficiency and storage efficiency are 43.08% and 5.99%, respectively, both significantly lower than those in hydrophilic and lipophilic channels. This study clarifies the microscale interaction mechanisms in shale reservoirs with mixed wettability, offering practical guidance for effective shale reservoir exploitation.

Document Type: Original article

Cited as: Wang, F., Meng, X., Xu, H., Liang, Y., Liu, Y. Microscale interaction mechanism between shale oil and CO2 in mixed wettability nanopores. Advances in Geo-Energy Research, 2025, 18(3): 231-241. https://doi.org/10.46690/ager.2025.12.03


Keywords


Shale oil, mixed wettability, nano-confinement effect, microscopic interaction, molecular dynamics

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References


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DOI: https://doi.org/10.46690/ager.2025.12.03

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