Molecular Dynamics Insight into the CO2 Flooding Mechanism in Wedge-Shaped Pores

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.