Molecules (Dec 2022)

Molecular Dynamics Insight into the CO<sub>2</sub> Flooding Mechanism in Wedge-Shaped Pores

  • Lu Wang,
  • Weifeng Lyu,
  • Zemin Ji,
  • Lu Wang,
  • Sen Liu,
  • Hongxu Fang,
  • Xiaokun Yue,
  • Shuxian Wei,
  • Siyuan Liu,
  • Zhaojie Wang,
  • Xiaoqing Lu

DOI
https://doi.org/10.3390/molecules28010188
Journal volume & issue
Vol. 28, no. 1
p. 188

Abstract

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Because of the growing demand for energy, oil extraction under complicated geological conditions is increasing. Herein, oil displacement by CO2 in wedge-shaped pores was investigated by molecular dynamics simulation. The results showed that, for both single and double wedge-shaped models, pore Ⅱ (pore size from 3 to 8 nm) exhibited a better CO2 flooding ability than pore Ⅰ (pore size from 8 to 3 nm). Compared with slit-shaped pores (3 and 8 nm), the overall oil displacement efficiency followed the sequence of 8 nm > double pore Ⅱ > single pore Ⅱ > 3 nm > double pore Ⅰ > single pore Ⅰ, which confirmed that the exits of the wedge-shaped pores had determinant effects on CO2 enhanced oil recovery over their entrances. “Oil/CO2 inter-pore migration” and “siphoning” phenomena occurred in wedge-shaped double pores by comparing the volumes of oil/CO2 and the center of mass. The results of the interaction and radial distribution function analyses indicate that the wide inlet and outlet had a larger CO2–oil contact surface, better phase miscibility, higher interaction, and faster displacement. These findings clarify the CO2 flooding mechanisms in wedge-shaped pores and provide a scientific basis for the practical applications of CO2 flooding.

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