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Molecular Modeling of CO 2 and n -Octane in Solubility Process and α -Quartz Nanoslit

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  • Jun Pu

    (State Key Laboratory of Shale Oil and Gas Enrichment Mechanisms and Effective Development, Beijing 100083, China
    State Energy Center for Shale Oil Research and Development, Beijing 100083, China
    Institute of Porous Flow and Fluid Mechanics, Chinese Academy of Science, Langfang 065007, China
    University of Chinese Academy of Science, Beijing 100190, China)

  • Xuejie Qin

    (State Key Laboratory of Shale Oil and Gas Enrichment Mechanisms and Effective Development, Beijing 100083, China
    State Energy Center for Shale Oil Research and Development, Beijing 100083, China)

  • Feifei Gou

    (State Key Laboratory of Shale Oil and Gas Enrichment Mechanisms and Effective Development, Beijing 100083, China
    State Energy Center for Shale Oil Research and Development, Beijing 100083, China)

  • Wenchao Fang

    (State Key Laboratory of Shale Oil and Gas Enrichment Mechanisms and Effective Development, Beijing 100083, China
    State Energy Center for Shale Oil Research and Development, Beijing 100083, China)

  • Fengjie Peng

    (School of Energy and Power Engineering, Huazhong University of Science and Technology (HUST), Wuhan 430074, China)

  • Runxi Wang

    (School of Energy and Power Engineering, Huazhong University of Science and Technology (HUST), Wuhan 430074, China)

  • Zhaoli Guo

    (School of Energy and Power Engineering, Huazhong University of Science and Technology (HUST), Wuhan 430074, China)

Abstract

After primary and secondary oil recovery, CO 2 -enhanced oil recovery (EOR) has become one of the most mentioned technologies in tertiary oil recovery. Since the oil is confined in an unconventional reservoir, the interfacial properties of CO 2 and oil are different from in conventional reservoirs, and play a key role in CO 2 EOR. In this study, molecular dynamics simulations are performed to investigate the interfacial properties, such as interfacial tension, minimum miscibility pressure (MMP), and CO 2 solubility. The vanishing interfacial tension method is used to get the MMP (~10.8 MPa at 343.15 K) which is in agreement with the reported experimental data, quantitatively. Meanwhile, the diffusion coefficients of CO 2 and n -octane under different pressures are calculated to show that the diffusion is mainly improved at the interface. Furthermore, the displacement efficiency and molecular orientation in α -quartz nanoslit under different CO 2 injection ratios have been evaluated. After CO 2 injection, the adsorbed n -octane molecules are found to be displaced from surface by the injected CO 2 and, then, the orientation of n -octane becomes more random, which indicates that and CO 2 can enhance the oil recovery and weaken the interaction between n -octane and α -quartz surface. The injection ratio of CO 2 to n -octane is around 3:1, which could achieve the optimal displacement efficiency.

Suggested Citation

  • Jun Pu & Xuejie Qin & Feifei Gou & Wenchao Fang & Fengjie Peng & Runxi Wang & Zhaoli Guo, 2018. "Molecular Modeling of CO 2 and n -Octane in Solubility Process and α -Quartz Nanoslit," Energies, MDPI, vol. 11(11), pages 1-11, November.
    • Handle: RePEc:gam:jeners:v:11:y:2018:i:11:p:3045-:d:180859
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    References listed on IDEAS

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    3. Mainak Majumder & Nitin Chopra & Rodney Andrews & Bruce Hinds, 2005. "Erratum: Nanoscale hydrodynamics: Enhanced flow in carbon nanotubes," Nature, Nature, vol. 438(7070), pages 930-930, December.
    4. Mainak Majumder & Nitin Chopra & Rodney Andrews & Bruce J. Hinds, 2005. "Enhanced flow in carbon nanotubes," Nature, Nature, vol. 438(7064), pages 44-44, November.
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