Molecular Dynamics-Based Simulation on Chemical Flooding Produced Emulsion Formation and Stabilization: A Critical Revie
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REVIEW-PETROLEUM ENGINEERING
Molecular Dynamics‑Based Simulation on Chemical Flooding Produced Emulsion Formation and Stabilization: A Critical Review Zhihua Wang1 · Yunfei Xu1 · Yang Liu1 · Xiaoyu Liu1 · Zhenhua Rui2 Received: 29 March 2020 / Accepted: 29 July 2020 © King Fahd University of Petroleum & Minerals 2020
Abstract Oil–water emulsions are commonly encountered at various stages of petroleum production. For example, the alkaline–surfactant–polymer flooding is extensively used to promote emulsion formation and thus enhance oil recovery. However, the chemicals (e.g., polymers and surfactants) involved in this process can also stabilize the produced emulsions to adversely affect the subsequent processes of oil field surface systems. Therefore, a deep understanding of oil–water emulsions formation and stabilization is required to guarantee and promote oil field production. This work summarizes the current knowledge on (1) the formation of oil–water emulsions, (2) the influence of crude oil components (e.g., asphaltenes and resins), and (3) the above-mentioned water phase components on emulsions stability on a macroscopic scale. Moreover, considering the importance of molecular dynamics (MD) simulation for revealing interphase interactions and its advantages of microstructure characterization, we also probe the mechanism of such simulations, discuss the obtained results, and reveal progress in the elucidation of the mechanism of oil–water interface stabilization. MD simulation is shown to shed light on oil–water emulsification and demulsification processes and is concluded to be well suited for exploring molecular adsorption, droplet coalescence, and droplet separation on a microscale. However, future researchers should aim to circumvent the limitations of model simplification and single-factor simulation, integrate the characteristics of internal and external phase components, and consider external factors like temperature and pressure to comprehensively analyze crude oil emulsification and demulsification behavior. Furthermore, the potential role of bubbles on produced emulsion structure should be considered in future simulations. Keywords Interface formation energy · Radial distribution function · Diffusion coefficient · Produced emulsion · ASP flooding · Molecular dynamics
1 Introduction * Zhenhua Rui [email protected] Zhihua Wang [email protected] Yunfei Xu [email protected] Yang Liu [email protected] Xiaoyu Liu [email protected] 1
Key Laboratory for Enhanced Oil and Gas Recovery of the Ministry of Education, Northeast Petroleum University, Daqing 163318, Heilongjiang, People’s Republic of China
Massachusetts Institute of Technology, Cambridge, MA 02139, USA
2
Although the adjustment and optimization of the global energy structure have decreased the rate of oil demand growth, the oil demand of major developing countries continues to increase, which makes oil recovery enhancement an important direction of oil field development and construction [1, 2]. In crude oil production and process
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