Abstract
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.
Highlights
Molecular simulation technology uses computers to simulate the structure and behavior of molecules with atomic-level molecular models[1,2,3,4,5]
Chen et al.[35] used MD to study the effect of salinity on the viscosity of polyacrylamide oil displacement agents, on this basis, Li et al.[36] adopted the same simulation technique to study the influence of hydrated montmorillonite on the viscosity of polyacrylamide with changing temperature and shear rate, and the results of simulation and experiment are consistent
Ni et al.[37] explored the influence of salt ions on the structure of anionic polyelectrolyte chain using Molecular Mechanics (MM)/MD combination, and provided a scientific and reasonable explanation for the separation or settlement of polyanions in salt solution, which can be used to improve the new oil displacement agent; The atomic model of crosslinked polyacrylamide network was established by MM and MD, and the combination of experimental characterization and molecular simulation is a new method to study the mechanism of crosslinked reaction, the resol crosslinked polyacrylamide hydrogel studied has good temperature and salt resistance performance and can be applied as a chemical oil-displacing agent to improve the recovery[38]
Summary
Molecular simulation technology uses computers to simulate the structure and behavior of molecules with atomic-level molecular models[1,2,3,4,5] It can give the physical quantity which can not be measured by the existing experiment of the system under study[6], This method is an advanced method that has attracted much attention in recent years in the study of fluid and rock properties and their associated phenomena. There is a general lack of understanding of the workflow and standards for EOR engineering related modeling using molecular simulations, the purpose of this article is to further identify and emphasize the necessity of developing such a workflow that will make this powerful and beneficial simulation technology easier to use in the oil-gas industry
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