GUO Xianglin, YANG Wenzhe1, 2 TAO Junyu1, 2 CAO Jingheng, LI Xiaoyin, XIA Xiaoyu, WANG Lei, WANG Zhiguo, JIANG Lanlan, LIU Yu, SONG Yongchen
Journal of Engineering Thermophysics. 2026, 47(2): 625-631.
This paper studies the microscopic mechanism of supercritical carbon dioxide (scCO2) displacing decane in nanopores by using molecular dynamics simulation methods. By constructing quartz nanopores, the displacement behavior of scCO2, the transport characteristics of decane, and the influence of injection pressure were analyzed. The results show that within the injection pressure range of 55 to 65 MPa, CO2 and decane become miscible, effectively stripping decane molecules from the pore walls, with a maximum recovery rate of over 99%. As the injection pressure increases, the decane diffusion coefficient during the displacement stage increases from 1.37×10−8 m2/s to 2.77×10−8 m2/s, significantly reducing the displacement time by 42%, while the diffusion coefficient in the initial stage remains relatively stable. The diffusion of decane causes a backward flow phenomenon, and the higher the injection pressure, the more significant the backward flow, increasing from 4.4% to 6.7%. The research indicates that scCO2 has a high efficiency in displacing decane, and appropriately increasing the injection pressure can accelerate the displacement process, but excessively high pressure will lead to an intensified backward flow.