A review of the flow characteristics of shale oil and the microscopic mechanism of CO2 flooding by molecular dynamics simulation

Shale oil is stored in nanoscale shale reservoirs. To explore enhanced recovery, it is essential to characterize the flow of hydrocarbons in nanopores. Molecular dynamics simulation is required for high-precision and high-cost experiments related to nanoscale pores. This technology is crucial for studying the kinetic characteristics of substances at the micro- and nanoscale and has become an important research method in the field of micro-mechanism research of shale oil extraction. This paper presents the principles and methods of molecular dynamics simulation technology, summarizes common molecular models and applicable force fields for simulating shale oil flow and enhanced recovery studies, and analyzes relevant physical parameters characterizing the distribution and kinetic properties of shale oil in nanopores. The physical parameters analyzed include interaction energy, density distribution, radial distribution function, mean-square displacement, and diffusion coefficient. This text describes how molecular dynamics simulation explains the mechanism of oil driving in CO2 injection technology and the factors that influence it. It also summarizes the advantages and disadvantages of molecular dynamics simulation in CO2 injection for enhanced recovery of shale oil. Furthermore, it presents the development trend of molecular dynamics simulation in shale reservoirs. The aim is to provide theoretical support for the development of unconventional oil and gas.