摘要：In recent years, molecular simulations have received extensive attention in the study of reservoir fluid and rock properties, interactions, and related phenomena at the atomistic scale. For example, in molecular dynamics simulation, interesting properties are taken out of the time evolution analysis of atomic positions and velocities by numerical solution of Newtonian equations for all atomic motion in the system. These technologies assists conducting “computer experiments” that might instead of be impossible, very costly, or even extremely perilous to carry out. Whether it is from the primary oil recovery to the tertiary oil recovery or from laboratory experiment to field test, it is difficult to clarify the oil displacement flow mechanism of underground reservoirs. Computer molecular simulation reveals the seepage mechanism of a certain oil displacement at the microscopic scale, and enriches the specific oil displacement flow theory system. And the molecular design and effect prediction of a certain oil-displacing agent were studied, and its role in the reservoir was simulated, and the most suitable oil-displacing agent and the best molecular structure of the most suitable oil-displacing agent were obtained. To give a theoretical basic for the development of oilfield flooding technology and enhanced oil/gas recovery. This paper presents an overview of molecular simulation techniques and its applications to explore enhanced oil/gas recovery engineering research, which will provide useful instructions for characterizing the reservoir fluid and rock and their behaviors in various oil-gas reserves, and it greatly contribute to perform optimal operation and better design of production plants.
其他摘要：In recent years, molecular simulations have received extensive attention in the study of reservoir fluid and rock properties, interactions, and related phenomena at the atomistic scale. For example, in molecular dynamics simulation, interesting properties are taken out of the time evolution analysis of atomic positions and velocities by numerical solution of Newtonian equations for all atomic motion in the system. These technologies assists conducting “computer experiments” that might instead of be impossible, very costly, or even extremely perilous to carry out. Whether it is from the primary oil recovery to the tertiary oil recovery or from laboratory experiment to field test, it is difficult to clarify the oil displacement flow mechanism of underground reservoirs. Computer molecular simulation reveals the seepage mechanism of a certain oil displacement at the microscopic scale, and enriches the specific oil displacement flow theory system. And the molecular design and effect prediction of a certain oil-displacing agent were studied, and its role in the reservoir was simulated, and the most suitable oil-displacing agent and the best molecular structure of the most suitable oil-displacing agent were obtained. To give a theoretical basic for the development of oilfield flooding technology and enhanced oil/gas recovery. This paper presents an overview of molecular simulation techniques and its applications to explore enhanced oil/gas recovery engineering research, which will provide useful instructions for characterizing the reservoir fluid and rock and their behaviors in various oil-gas reserves, and it greatly contribute to perform optimal operation and better design of production plants.
