Special Oil & Gas Reservoirs >

2025 , Vol. 32 >Issue 2: 89 - 94

DOI: https://doi.org/10.3969/j.issn.1006-6535.2025.02.011

Reservoir Engineering

Molecular simulation of wettability of water-methane-carbon dioxide-carbon system

  • YONG Wei ,
  • WEI Zhijie ,
  • LIU Yuyang ,
  • WANG Deqiang ,
  • CUI Yongzheng ,
  • ZHANG Jian ,
  • ZHOU Wensheng
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  • 1. National Key Laboratory of Efficient Offshore Oil and Gas Development, Beijing 100028, China;
    2. CNOOC Research Institute Co., Ltd., Beijing 100028, China

Received date: 2024-07-27

  Revised date: 2025-02-20

  Online published: 2025-06-16

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Abstract

To address the difficulty in conducting wettability studies at the molecular scale,molecular simulation methods were employed to investigate the wettability behavior of droplets in shale nanopores after interaction with the methane-carbon dioxide-carbon system (wettability was characterized by surface tension and contact angle).The results show that the proportion of CO2 molecules, XCO2,significantly affects the surface tension γ of the CH4-CO2-H2O system.The surface tension γ decreases with increasing temperature and XCO2,with a maximum reduction of approximately 40%.Further analysis revealed the variation of droplet contact angle with changes in CH4 and CO2 pressure.It was found that in a CH4 environment,when the pressure exceeds 78 MPa,the droplet detaches from the solid surface,forming a contact angle of 180°,indicating that the shale pore surface reaches a completely hydrophobic state. In a CO2 environment,the corresponding pressure for the shale surface to become completely hydrophobic is 12 MPa.The simulation results are consistent with relevant experimental data. Compared to CH4, CO2 exhibits stronger interaction with the shale surface, thereby displacing CH4 attached to the solid surface and enhancing gas recovery.For CH4-CO2 mixtures, the contact angle shows a linear positive correlation with the proportion of CO2 molecules.The research findings provide theoretical guidance on the relationship between wettability and enhanced recovery in shale.

Key words： water-methane-carbon dioxide-carbon system; wettability; contact angle; molecular modeling; enhanced recovery; shale

Cite this article

YONG Wei , WEI Zhijie , LIU Yuyang , WANG Deqiang , CUI Yongzheng , ZHANG Jian , ZHOU Wensheng . Molecular simulation of wettability of water-methane-carbon dioxide-carbon system[J]. Special Oil & Gas Reservoirs, 2025 , 32(2) : 89 -94 . DOI: 10.3969/j.issn.1006-6535.2025.02.011

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