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Adsorption mechanism of oil components on water-wet mineral surface: A molecular dynamics simulation study

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  • Zhong, Jie
  • Wang, Pan
  • Zhang, Yang
  • Yan, Youguo
  • Hu, Songqing
  • Zhang, Jun

Abstract

In this article, decane, methyl benzene, pyridine and acetic acid were selected as different polarity components in crude oil, and their adsorption behavior on water-wet silica surface was investigated by molecular dynamics simulation. Simulation results indicated that polar components could penetrate through water film and adsorb on silica surface, while it was difficult for apolar components. And then, the adsorption mechanism of these four oil components was studied, and researched results showed that the adsorption capability of oil components is related to three factors, viz. interaction between oil components and silica surface, penetration in water film and competitive adsorption with water molecules. Furthermore, how the pre-adsorbed polar components affecting the adsorption of apolar components was investigated. The simulation results demonstrated that the pre-adsorbed polar components could improve the adsorption capability of apolar components. Based on our researches, a two-step adsorption process was proposed, viz. the polar oil components preferentially absorbed on mineral surface, and then these polar components, playing the role of anchor, promoted the adsorption of apolar components. Our researches were beneficial to reveal the adsorption process of oil components in the formation of oil reservoir, which was helpful in guiding the oil-displacing agent design and oil exploitation.

Suggested Citation

  • 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.
    • Handle: RePEc:eee:energy:v:59:y:2013:i:c:p:295-300
    DOI: 10.1016/j.energy.2013.07.016
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    1. 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.
    2. Mofarahi, Masoud & Khojasteh, Yaser & Khaledi, Hiwa & Farahnak, Arsalan, 2008. "Design of CO2 absorption plant for recovery of CO2 from flue gases of gas turbine," Energy, Elsevier, vol. 33(8), pages 1311-1319.
    3. Iribarren, Diego & Petrakopoulou, Fontina & Dufour, Javier, 2013. "Environmental and thermodynamic evaluation of CO2 capture, transport and storage with and without enhanced resource recovery," Energy, Elsevier, vol. 50(C), pages 477-485.
    4. 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.
    5. Kraemer, Daniel & Bajpayee, Anurag & Muto, Andy & Berube, Vincent & Chiesa, Matteo, 2009. "Solar assisted method for recovery of bitumen from oil sand," Applied Energy, Elsevier, vol. 86(9), pages 1437-1441, September.
    6. Yuan, Qing & Sun, Chang-Yu & Yang, Xin & Ma, Ping-Chuan & Ma, Zheng-Wei & Liu, Bei & Ma, Qing-Lan & Yang, Lan-Ying & Chen, Guang-Jin, 2012. "Recovery of methane from hydrate reservoir with gaseous carbon dioxide using a three-dimensional middle-size reactor," Energy, Elsevier, vol. 40(1), pages 47-58.
    7. Liu, Chun-Zhao & Zheng, Sen & Xu, Ling & Wang, Feng & Guo, Chen, 2013. "Algal oil extraction from wet biomass of Botryococcus braunii by 1,2-dimethoxyethane," Applied Energy, Elsevier, vol. 102(C), pages 971-974.
    8. 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.
    9. Emberley, S. & Hutcheon, I. & Shevalier, M. & Durocher, K. & Gunter, W.D. & Perkins, E.H., 2004. "Geochemical monitoring of fluid-rock interaction and CO2 storage at the Weyburn CO2-injection enhanced oil recovery site, Saskatchewan, Canada," Energy, Elsevier, vol. 29(9), pages 1393-1401.
    10. van Bergen, F. & Gale, J. & Damen, K.J. & Wildenborg, A.F.B., 2004. "Worldwide selection of early opportunities for CO2-enhanced oil recovery and CO2-enhanced coal bed methane production," Energy, Elsevier, vol. 29(9), pages 1611-1621.
    11. Patel, Rajesh N. & Bandyopadhyay, Santanu & Ganesh, Anuradda, 2011. "Extraction of cardanol and phenol from bio-oils obtained through vacuum pyrolysis of biomass using supercritical fluid extraction," Energy, Elsevier, vol. 36(3), pages 1535-1542.
    12. Chen, Yanling & He, Jing & Wang, Yuanqing & Li, Pei, 2010. "GC-MS used in study on the mechanism of the viscosity reduction of heavy oil through aquathermolysis catalyzed by aromatic sulfonic H3PMo12O40," Energy, Elsevier, vol. 35(8), pages 3454-3460.
    13. 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.
    14. Al-Otoom, Awni & Allawzi, Mamdouh & Al-Omari, Naser & Al-Hsienat, Emad, 2010. "Bitumen recovery from Jordanian oil sand by froth flotation using petroleum cycles oil cuts," Energy, Elsevier, vol. 35(10), pages 4217-4225.
    Full references (including those not matched with items on IDEAS)

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