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Molecular dynamics simulation of oil detachment from hydrophobic quartz surfaces during steam-surfactant Co-injection

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  • Ahmadi, Mohammadali
  • Chen, Zhangxin

Abstract

In-situ recovery of bitumen involves high-temperature conditions yielded by a steam injection process, making it costly to produce, along with an extensive environmental footprint. From solvents to surfactants, additives come into play to tackle these issues efficiently. These additives can reduce a required amount of steam and increase bitumen recovery. Formulating surfactants for bitumen recovery under thermal process conditions requires solid knowledge about mechanisms and parameters incorporated into bitumen recovery. Molecular Dynamics (MD) simulation is carried out in this work to address unclear mechanisms that contribute to the bitumen recovery under a steam-anionic surfactant co-injection process. According to equilibrium MD simulation outputs, having sulfur on resin molecules can negatively affect an oil detachment process from a quartz surface due to changes in intermolecular interactions between different pairs of molecules inside a system, such as asphaltene-resin, asphaltene-asphaltene, and asphaltene-surfactant pairs. Under a flow condition, the composition of a resin fraction can change the threshold of a pumping force to detach oil from a quartz surface. During non-equilibrium MD simulation, increasing the pumping force strength from 10−5 to 10−4 Kcal/(mol.Ȧ) can improve the oil detachment process from the reservoir rock when the resin fraction contains sulfur. However, in the case of resin without sulfur, increasing the pumping force had a minor reduction in the oil detachment process. The outcomes of this paper will lay a solid foundation regarding mechanisms contributing to in-situ bitumen recovery, especially with chemical additives. Furthermore, they will provide a useful guidance for formulating chemicals applicable in the steam-chemical co-injection.

Suggested Citation

  • Ahmadi, Mohammadali & Chen, Zhangxin, 2022. "Molecular dynamics simulation of oil detachment from hydrophobic quartz surfaces during steam-surfactant Co-injection," Energy, Elsevier, vol. 254(PC).
    • Handle: RePEc:eee:energy:v:254:y:2022:i:pc:s0360544222013378
    DOI: 10.1016/j.energy.2022.124434
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    References listed on IDEAS

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    1. Safaei, M. & Oni, A.O. & Gemechu, E.D. & Kumar, A., 2019. "Evaluation of energy and GHG emissions’ footprints of bitumen extraction using Enhanced Solvent Extraction Incorporating Electromagnetic Heating technology," Energy, Elsevier, vol. 186(C).
    2. Hu, Haixiang & Li, Xiaochun & Fang, Zhiming & Wei, Ning & Li, Qianshu, 2010. "Small-molecule gas sorption and diffusion in coal: Molecular simulation," Energy, Elsevier, vol. 35(7), pages 2939-2944.
    3. Chen, Lei & Wang, Shanyou & Tao, Wenquan, 2019. "A study on thermodynamic and transport properties of carbon dioxide using molecular dynamics simulation," Energy, Elsevier, vol. 179(C), pages 1094-1102.
    4. Raaen, S. & Ramstad, A., 2005. "Monte-Carlo simulations of thermal desorption of adsorbed molecules from metal surfaces," Energy, Elsevier, vol. 30(6), pages 821-830.
    5. Rao, Zhonghao & Wang, Shuangfeng & Peng, Feifei & Zhang, Wei & Zhang, Yanlai, 2012. "Dissipative particle dynamics investigation of microencapsulated thermal energy storage phase change materials," Energy, Elsevier, vol. 44(1), pages 805-812.
    6. Sorrell, Steve & Speirs, Jamie & Bentley, Roger & Brandt, Adam & Miller, Richard, 2010. "Global oil depletion: A review of the evidence," Energy Policy, Elsevier, vol. 38(9), pages 5290-5295, September.
    7. Kjelstrup, S. & Bedeaux, D. & Inzoli, I. & Simon, J.-M., 2008. "Criteria for validity of thermodynamic equations from non-equilibrium molecular dynamics simulations," Energy, Elsevier, vol. 33(8), pages 1185-1196.
    8. Dong, Xiaohu & Liu, Huiqing & Chen, Zhangxin & Wu, Keliu & Lu, Ning & Zhang, Qichen, 2019. "Enhanced oil recovery techniques for heavy oil and oilsands reservoirs after steam injection," Applied Energy, Elsevier, vol. 239(C), pages 1190-1211.
    9. Zhong, Jie & Wang, Pan & Zhang, Yang & Yan, Youguo & Hu, Songqing & Zhang, Jun, 2013. "Adsorption mechanism of oil components on water-wet mineral surface: A molecular dynamics simulation study," Energy, Elsevier, vol. 59(C), pages 295-300.
    10. Radpour, Saeidreza & Gemechu, Eskinder & Ahiduzzaman, Md & Kumar, Amit, 2021. "Development of a framework for the assessment of the market penetration of novel in situ bitumen extraction technologies," Energy, Elsevier, vol. 220(C).
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    2. Yan, Zechen & Li, Xiaofang & Zhu, Xu & Wang, Ping & Yu, Shifan & Li, Haonan & Wei, Kangxing & Li, Yan & Xue, Qingzhong, 2023. "MD-CFD simulation on the miscible displacement process of hydrocarbon gas flooding under deep reservoir conditions," Energy, Elsevier, vol. 263(PA).

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