Molecular Dynamics Simulation on the Mechanism of Shale Oil Displacement by Carbon Dioxide in Inorganic Nanopores

Chengshan Li, Hongbo Xue, Liping Rao, Fang Yuan, Zhongyi Xu, Tongtong He, Chengwei Ji, Zhengbin Wu () and Jiacheng Yan
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Chengshan Li: Ninth Oil Production Plant, Changqing Oilfield Branch, China National Petroleum Corporation, Xi’an 710018, China
Hongbo Xue: Ninth Oil Production Plant, Changqing Oilfield Branch, China National Petroleum Corporation, Xi’an 710018, China
Liping Rao: Ninth Oil Production Plant, Changqing Oilfield Branch, China National Petroleum Corporation, Xi’an 710018, China
Fang Yuan: Ninth Oil Production Plant, Changqing Oilfield Branch, China National Petroleum Corporation, Xi’an 710018, China
Zhongyi Xu: Ninth Oil Production Plant, Changqing Oilfield Branch, China National Petroleum Corporation, Xi’an 710018, China
Tongtong He: Ninth Oil Production Plant, Changqing Oilfield Branch, China National Petroleum Corporation, Xi’an 710018, China
Chengwei Ji: Ninth Oil Production Plant, Changqing Oilfield Branch, China National Petroleum Corporation, Xi’an 710018, China
Zhengbin Wu: Hubei Provincial Key Laboratory of Oil and Gas Exploration and Development Theory and Technology, China University of Geosciences, Wuhan 430074, China
Jiacheng Yan: School of Earth Sciences, Yangtze University, Wuhan 430100, China

Energies, 2025, vol. 18, issue 2, 1-15

Abstract: Shale oil reservoirs feature a considerable number of nanopores and complex minerals, and the impact of nano-pore confinement and pore types frequently poses challenges to the efficient development of shale oil. For shale oil reservoirs, CO 2 flooding can effectively lower crude oil viscosity, enhance reservoir physical properties, and thereby increase recovery. In this paper, the CO 2 displacement process in the nanoscale pores of shale oil was simulated through the molecular dynamic simulation method. The performance disparity of quartz and calcite slit nanopores was discussed, and the influences of nanoscale pore types and displacement rates on CO 2 displacement behavior were further analyzed. The results demonstrate that the CO 2 displacement processes of different inorganic pores vary. In contrast, the displacement efficiency of light oil components is higher and the transportation distance is longer. Intermolecular interaction has a remarkable effect on the displacement behavior of CO 2 in nanopores. On the other hand, it is discovered that a lower displacement rate is conducive to the miscible process of alkane and CO 2 and the overall displacement process of CO 2 . The displacement efficiency drops significantly with the increase in displacement velocity. Nevertheless, once the displacement speed is extremely high, a strong driving force can facilitate the forward movement of alkane, and the displacement efficiency will recover slightly.

Keywords: shale oil; carbon dioxide; molecular dynamics simulation; nanopores; displacement characteristics (search for similar items in EconPapers)
JEL-codes: Q Q0 Q4 Q40 Q41 Q42 Q43 Q47 Q48 Q49 (search for similar items in EconPapers)
Date: 2025
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