Prediction of Viscosity of the Oil-Surfactant-Brine Microemulsion Phase Using Molecular Dynamics Simulations

被引:3
|
作者
Talapatra A. [1 ]
Nojabaei B. [1 ]
机构
[1] Department of Mining and Minerals Engineering, Virginia Tech, Blacksburg, 24061, VA
来源
Energy and Fuels | 2024年 / 38卷 / 09期
关键词
Design of experiments - Microemulsions - Solvents - Surface active agents - Viscosity;
D O I
10.1021/acs.energyfuels.3c04902
中图分类号
学科分类号
摘要
Estimation of the microemulsion dynamic viscosity under reservoir conditions is important as it is directly connected to the oil recovery predictions and optimization design. The dynamic viscosity of the microemulsion phase depends on not only the phase behavior but also the microstructure of the phase. Here, we aim to fundamentally understand and quantify the relevance of microemulsion phase viscosity to the surfactant concentration, water salinity, pressure, and temperature by conducting numerical design of experiments using molecular dynamics (MD) simulations. We use the Einstein relation, which is a reformulated Green-Kubo formula, to calculate and track the change in viscosity with the above-mentioned conditions. After our model is validated by comparing the simulated results with the available experimental data, the viscosity peaks or percolation thresholds are investigated for a specific range of salinity and surfactant concentrations. The outcome of this research results in achieving optimized rheological properties of oil-brine interfacial systems for oil recovery operations. © 2024 The Authors. Published by American Chemical Society.
引用
收藏
页码:7746 / 7757
页数:11
相关论文
共 50 条
  • [31] Investigation of Mixed Surfactant Films at Water Surface Using Molecular Dynamics Simulations
    Habartova, Mena
    Roeselova, Martina
    Cwiklik, Lukasz
    LANGMUIR, 2015, 31 (42) : 11508 - 11515
  • [32] Microemulsion Effects on Oil Recovery From Kerogen Using Molecular-Dynamics Simulation
    Bui, Khoa
    Akkutlu, I. Yucel
    Zelenev, Andrei S.
    Hill, W. A.
    Griman, Christian
    Boudreaux, Trudy C.
    Silas, James A.
    SPE JOURNAL, 2019, 24 (06): : 2541 - 2554
  • [33] Electron microscopic studies of the middle phase in brine-microemulsion-oil three-phase system
    Gao, L
    Liu, J
    Li, ZP
    ACTA CHIMICA SINICA, 1998, 56 (11) : 1070 - 1074
  • [34] Temperature-Dependent Density and Viscosity Prediction for Hydrocarbons: Machine Learning and Molecular Dynamics Simulations
    Panwar, Pawan
    Yang, Quanpeng
    Martini, Ashlie
    JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2023, 64 (07) : 2760 - 2774
  • [35] Transient molecular dynamics simulations of viscosity for simple fluids
    Thomas, Jason C.
    Rowley, Richard L.
    JOURNAL OF CHEMICAL PHYSICS, 2007, 127 (17):
  • [36] MOLECULAR DYNAMICS SIMULATIONS OF VISCOSITY IN CONFINED LUBRICANT FILM
    Pirghie, C.
    Pirghie, A. C.
    JOURNAL OF THE BALKAN TRIBOLOGICAL ASSOCIATION, 2016, 22 (2A): : 2008 - 2020
  • [37] Molecular dynamics simulations of lung surfactant lipid monolayers
    Rose, Doyle
    Rendell, Jennifer
    Lee, Derrick
    Nag, Kaushik
    Booth, Valerie
    BIOPHYSICAL CHEMISTRY, 2008, 138 (03) : 67 - 77
  • [38] The lung surfactant activity probed with molecular dynamics simulations
    Stachowicz-Kusnierz, Anna
    Korchowiec, Beata
    Rogalska, Ewa
    Korchowiec, Jacek
    ADVANCES IN COLLOID AND INTERFACE SCIENCE, 2022, 304
  • [39] Phase transitions in electrorheological fluids using molecular dynamics simulations
    Lapenta, G
    Maizza, G
    Palmieri, A
    Boretto, G
    Debenedetti, M
    PHYSICAL REVIEW E, 1999, 60 (04) : 4505 - 4510
  • [40] THE TOPOLOGY OF PHASE BOUNDARIES FOR OIL BRINE SURFACTANT SYSTEMS AND ITS RELATIONSHIP TO OIL-RECOVERY
    BOURREL, M
    CHAMBU, C
    SCHECHTER, RS
    WADE, WH
    SOCIETY OF PETROLEUM ENGINEERS JOURNAL, 1982, 22 (01): : 28 - 36