Advance in application of molecular dynamics simulation in polymer flooding

Traditionally, laboratory testing and measurement are considered to be the most reliable characterization methods. However, in many cases, due to the unclear understanding of the sensitivity to the range of reservoir properties and local changes of heterogeneous reservoir properties, and based on the oversimplified assumptions, the feature prediction obtained by this deterministic strategy is highly uncertain. In recent years, molecular dynamics （MD） simulation has received extensive attention in the study of reservoir rock, fluid properties and their interactions, as well as at the atomic level. In MD simulation, interesting properties are extracted from the time evolution analysis of atomic position and velocity through the numerical solution of Newton's equations for all atomic motions in the system. This technology can help to carry out the computer experiments which can be used to do the experiments that may not be able to complete, with high cost or very dangerous. In this paper, we review the MD simulation technology and its application in the study of oil displacement mechanism and properties of oil displacement agent, and expounds the theoretical concept and program of MD, especially in the analysis of polymer flooding. It will provide useful guidelines to characterize reservoir rocks and fluids and their behaviors in various reservoirs, help to better optimize the operation of design and production plan, and provide a theoretical basis for the development of polymer flooding technology in oilfields.