Application of molecular simulation in tertiary oil recovery: A systematic review

This paper focuses on research progress of molecular simulation in oil displacement system. Through summarizing relevant literature in recent years, various applications of molecular simulation in tertiary oil recovery technology are reviewed. The main content is molecular simulation research on the interfacial properties of oil/water systems involving surfactants, polymers, foams, and nanoparticles. It is hoped that starting from the simulation system, through the research and analysis of molecular aggregation behavior at the oil/water interface, the feasibility conditions can be provided for the experimental system, and relevant theoretical guidance can be provided for design of new oil displacement agent for tertiary oil recovery. [Display omitted] •The application of molecular simulation in enhanced oil recovery is summarized.•The interfacial behaviors of oil displacement agents such as surfactant and polymers are reviewed.•The problems in the application of molecular simulation in oil displacement are summarized.