IDEAS home Printed from https://ideas.repec.org/a/eee/energy/v279y2023ics0360544223014949.html
   My bibliography  Save this article

Spotlight on reversible emulsification and demulsification of tetradecane-water mixtures using CO2/N2 switchable surfactants: Molecular dynamics (MD) simulation

Author

Listed:
  • Ahmadi, Mohammadali
  • Hou, Qingfeng
  • Wang, Yuanyuan
  • Lei, Xuantong
  • Liu, Benjieming
  • Chen, Zhangxin

Abstract

CO2/N2 switchable surfactants have recently attracted significant attention in enhanced oil recovery. Their environmental and economic benefits are the main driving forces for their application in the oil and gas industry. This study evaluated mixtures of sodium dodecyl sulfate (SDS), C18 naphthalene sulfonate (C18PS), and CO2-switchable acetamidine surfactant N′-dodecyl-N, N-dimethylacetamidine (C12DMAA) in water/dodecane systems by using molecular dynamics (MD) simulation. The effects of the molecular structure of anionic surfactant and surfactant concentration on switchable emulsification and demulsification in an oil/water/SDS or C18PS/C12DMAA system triggered by CO2/N2 injection were investigated. The molecule mobility, hydration behavior, density field analysis, diffusion coefficient, radial distribution functions (RDFs), and the density profiles of various systems were thoroughly examined. Based on MD simulation outputs, increasing surfactant concentration can intensify a demulsification process and create a clear phase separation between water and tetradecane. On the other hand, during an emulsification process, adding more surfactant monomers improved a hydration layer around oil droplets and increased hydrogen bonds; however, the contribution of hydrogen bonds between water and N′-dodecyl-N, N-dimethylacetamidinium (C12DMAAH+) compared to SDS and C18PS is limited. MD simulations proved the switchability of SDS/C12DMAA and C18PS/C12DMAA for emulsification and demulsification processes. The results of the current study will be beneficial for developing and optimizing the switchable surfactant structures for further use in the oil and gas industry through surfactant injection.

Suggested Citation

  • Ahmadi, Mohammadali & Hou, Qingfeng & Wang, Yuanyuan & Lei, Xuantong & Liu, Benjieming & Chen, Zhangxin, 2023. "Spotlight on reversible emulsification and demulsification of tetradecane-water mixtures using CO2/N2 switchable surfactants: Molecular dynamics (MD) simulation," Energy, Elsevier, vol. 279(C).
    • Handle: RePEc:eee:energy:v:279:y:2023:i:c:s0360544223014949
    DOI: 10.1016/j.energy.2023.128100
    as

    Download full text from publisher

    File URL: http://www.sciencedirect.com/science/article/pii/S0360544223014949
    Download Restriction: Full text for ScienceDirect subscribers only
    File URL: https://libkey.io/10.1016/j.energy.2023.128100?utm_source=ideas
    LibKey link: if access is restricted and if your library uses this service, LibKey will redirect you to where you can use your library subscription to access this item
    ---><---

    As the access to this document is restricted, you may want to search for a different version of it.

    References listed on IDEAS

    as
    1. Giacchetta, Giancarlo & Leporini, Mariella & Marchetti, Barbara, 2015. "Economic and environmental analysis of a Steam Assisted Gravity Drainage (SAGD) facility for oil recovery from Canadian oil sands," Applied Energy, Elsevier, vol. 142(C), pages 1-9.
    2. Rui, Zhenhua & Wang, Xiaoqing & Zhang, Zhien & Lu, Jun & Chen, Gang & Zhou, Xiyu & Patil, Shirish, 2018. "A realistic and integrated model for evaluating oil sands development with Steam Assisted Gravity Drainage technology in Canada," Applied Energy, Elsevier, vol. 213(C), pages 76-91.
    3. Höök, Mikael & Hirsch, Robert & Aleklett, Kjell, 2009. "Giant oil field decline rates and their influence on world oil production," Energy Policy, Elsevier, vol. 37(6), pages 2262-2272, June.
    4. Steven Chu & Arun Majumdar, 2012. "Opportunities and challenges for a sustainable energy future," Nature, Nature, vol. 488(7411), pages 294-303, August.
    Full references (including those not matched with items on IDEAS)

    Most related items

    These are the items that most often cite the same works as this one and are cited by the same works as this one.
    1. Zhang, Lisong & Li, Jing & Sun, Luning & Yang, Feiyue, 2021. "An influence mechanism of shale barrier on heavy oil recovery using SAGD based on theoretical and numerical analysis," Energy, Elsevier, vol. 216(C).
    2. 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.
    3. Liu, Hao & Cheng, Linsong & Wu, Keliu & Huang, Shijun & Maini, Brij B., 2018. "Assessment of energy efficiency and solvent retention inside steam chamber of steam- and solvent-assisted gravity drainage process," Applied Energy, Elsevier, vol. 226(C), pages 287-299.
    4. Cheng, Linsong & Liu, Hao & Huang, Shijun & Wu, Keliu & Chen, Xiao & Wang, Daigang & Xiong, Hao, 2018. "Environmental and economic benefits of Solvent-Assisted Steam-Gravity Drainage for bitumen through horizontal well: A comprehensive modeling analysis," Energy, Elsevier, vol. 164(C), pages 418-431.
    5. Wang, Zhengxu & Gao, Deli & Diao, Binbin & Zhang, Wei, 2020. "The influence of casing properties on performance of radio frequency heating for oil sands recovery," Applied Energy, Elsevier, vol. 261(C).
    6. Chen, Long Xiang & Xie, Mei Na & Zhao, Pan Pan & Wang, Feng Xiang & Hu, Peng & Wang, Dong Xiang, 2018. "A novel isobaric adiabatic compressed air energy storage (IA-CAES) system on the base of volatile fluid," Applied Energy, Elsevier, vol. 210(C), pages 198-210.
    7. Chen, Xuejun & Yang, Yongming & Cui, Zhixin & Shen, Jun, 2019. "Vibration fault diagnosis of wind turbines based on variational mode decomposition and energy entropy," Energy, Elsevier, vol. 174(C), pages 1100-1109.
    8. Muhammad Habib Ur Rehman & Luigi Coppola & Ernestino Lufrano & Isabella Nicotera & Cataldo Simari, 2023. "Enhancing Water Retention, Transport, and Conductivity Performance in Fuel Cell Applications: Nafion-Based Nanocomposite Membranes with Organomodified Graphene Oxide Nanoplatelets," Energies, MDPI, vol. 16(23), pages 1-11, November.
    9. Pin Li & Jinsuo Zhang, 2019. "Is China’s Energy Supply Sustainable? New Research Model Based on the Exponential Smoothing and GM(1,1) Methods," Energies, MDPI, vol. 12(2), pages 1-30, January.
    10. Sung-Fu Hung & Aoni Xu & Xue Wang & Fengwang Li & Shao-Hui Hsu & Yuhang Li & Joshua Wicks & Eduardo González Cervantes & Armin Sedighian Rasouli & Yuguang C. Li & Mingchuan Luo & Dae-Hyun Nam & Ning W, 2022. "A metal-supported single-atom catalytic site enables carbon dioxide hydrogenation," Nature Communications, Nature, vol. 13(1), pages 1-9, December.
    11. Zheng, Bobo & Xu, Jiuping & Ni, Ting & Li, Meihui, 2015. "Geothermal energy utilization trends from a technological paradigm perspective," Renewable Energy, Elsevier, vol. 77(C), pages 430-441.
    12. Mao, Guozhu & Zou, Hongyang & Chen, Guanyi & Du, Huibin & Zuo, Jian, 2015. "Past, current and future of biomass energy research: A bibliometric analysis," Renewable and Sustainable Energy Reviews, Elsevier, vol. 52(C), pages 1823-1833.
    13. Aurélien Saussay, 2015. "Can the US shale revolution be duplicated in europe ?," Sciences Po publications 2015-10, Sciences Po.
    14. Luo, Rongrong & Wang, Liuwei & Yu, Wei & Shao, Feilong & Shen, Haikuo & Xie, Huaqing, 2023. "High energy storage density titanium nitride-pentaerythritol solid–solid composite phase change materials for light-thermal-electric conversion," Applied Energy, Elsevier, vol. 331(C).
    15. Ewa C. E. Rönnebro & Greg Whyatt & Michael Powell & Matthew Westman & Feng (Richard) Zheng & Zhigang Zak Fang, 2015. "Metal Hydrides for High-Temperature Power Generation," Energies, MDPI, vol. 8(8), pages 1-25, August.
    16. Chen, Dongfang & Pan, Lyuming & Pei, Pucheng & Huang, Shangwei & Ren, Peng & Song, Xin, 2021. "Carbon-coated oxygen vacancies-rich Co3O4 nanoarrays grow on nickel foam as efficient bifunctional electrocatalysts for rechargeable zinc-air batteries," Energy, Elsevier, vol. 224(C).
    17. Chang, Chih-Chang & Huang, Wei-Hao & Mai, Van-Phung & Tsai, Jia-Shiuan & Yang, Ruey-Jen, 2021. "Experimental investigation into energy harvesting of NaCl droplet flow over graphene supported by silicon dioxide," Energy, Elsevier, vol. 229(C).
    18. Chen, Hao & Wang, Huanran & Li, Ruixiong & Sun, Hao & Ge, Gangqiang & Ling, Lanning, 2022. "Experimental and analytical investigation of near-isothermal pumped hydro-compressed air energy storage system," Energy, Elsevier, vol. 249(C).
    19. Wang, Jiayu, 2016. "Do light vehicle emissions standards promote environmental goals in Australia?," Conference papers 332692, Purdue University, Center for Global Trade Analysis, Global Trade Analysis Project.
    20. Géremi Gilson Dranka & Paula Ferreira, 2020. "Electric Vehicles and Biofuels Synergies in the Brazilian Energy System," Energies, MDPI, vol. 13(17), pages 1-22, August.

    Corrections

    All material on this site has been provided by the respective publishers and authors. You can help correct errors and omissions. When requesting a correction, please mention this item's handle: RePEc:eee:energy:v:279:y:2023:i:c:s0360544223014949. See general information about how to correct material in RePEc.

    If you have authored this item and are not yet registered with RePEc, we encourage you to do it here. This allows to link your profile to this item. It also allows you to accept potential citations to this item that we are uncertain about.

    If CitEc recognized a bibliographic reference but did not link an item in RePEc to it, you can help with this form .

    If you know of missing items citing this one, you can help us creating those links by adding the relevant references in the same way as above, for each refering item. If you are a registered author of this item, you may also want to check the "citations" tab in your RePEc Author Service profile, as there may be some citations waiting for confirmation.

    For technical questions regarding this item, or to correct its authors, title, abstract, bibliographic or download information, contact: Catherine Liu (email available below). General contact details of provider: http://www.journals.elsevier.com/energy .

    Please note that corrections may take a couple of weeks to filter through the various RePEc services.

    IDEAS is a RePEc service. RePEc uses bibliographic data supplied by the respective publishers.