Molecular Dynamics-Based Simulation on Chemical Flooding Produced Emulsion Formation and Stabilization: A Critical Review

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...

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Main Authors: Wang, Zhihua, Xu, Yunfei, Liu, Yang, Liu, Xiaoyu, Rui, Zhenhua
Format: Article
Language:English
Published: Springer Berlin Heidelberg 2021
Online Access:https://hdl.handle.net/1721.1/131563
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author Wang, Zhihua
Xu, Yunfei
Liu, Yang
Liu, Xiaoyu
Rui, Zhenhua
author_facet Wang, Zhihua
Xu, Yunfei
Liu, Yang
Liu, Xiaoyu
Rui, Zhenhua
author_sort Wang, Zhihua
collection MIT
description 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.
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spelling mit-1721.1/1315632021-09-21T03:06:34Z Molecular Dynamics-Based Simulation on Chemical Flooding Produced Emulsion Formation and Stabilization: A Critical Review Wang, Zhihua Xu, Yunfei Liu, Yang Liu, Xiaoyu Rui, Zhenhua 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. 2021-09-20T17:20:24Z 2021-09-20T17:20:24Z 2020-08-09 2020-09-24T21:08:32Z Article http://purl.org/eprint/type/JournalArticle https://hdl.handle.net/1721.1/131563 en https://doi.org/10.1007/s13369-020-04840-9 Article is made available in accordance with the publisher's policy and may be subject to US copyright law. Please refer to the publisher's site for terms of use. King Fahd University of Petroleum & Minerals application/pdf Springer Berlin Heidelberg Springer Berlin Heidelberg
spellingShingle Wang, Zhihua
Xu, Yunfei
Liu, Yang
Liu, Xiaoyu
Rui, Zhenhua
Molecular Dynamics-Based Simulation on Chemical Flooding Produced Emulsion Formation and Stabilization: A Critical Review
title Molecular Dynamics-Based Simulation on Chemical Flooding Produced Emulsion Formation and Stabilization: A Critical Review
title_full Molecular Dynamics-Based Simulation on Chemical Flooding Produced Emulsion Formation and Stabilization: A Critical Review
title_fullStr Molecular Dynamics-Based Simulation on Chemical Flooding Produced Emulsion Formation and Stabilization: A Critical Review
title_full_unstemmed Molecular Dynamics-Based Simulation on Chemical Flooding Produced Emulsion Formation and Stabilization: A Critical Review
title_short Molecular Dynamics-Based Simulation on Chemical Flooding Produced Emulsion Formation and Stabilization: A Critical Review
title_sort molecular dynamics based simulation on chemical flooding produced emulsion formation and stabilization a critical review
url https://hdl.handle.net/1721.1/131563
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