IDEAS home Printed from https://ideas.repec.org/a/eee/phsmap/v564y2021ics0378437120306737.html
   My bibliography  Save this article

Non-thermal effect of microwave in supercritical water: A molecular dynamics simulation study

Author

Listed:
  • Hu, Ying
  • Jia, Guozhu

Abstract

Molecular dynamics (MD) simulation were employed to explore the microwave (MW) non-thermal effects of the supercritical water (SCW) using the SPC and SPC/E potential models. The field dependent radial distribution function, tetrahedral structure, dielectric constant, diffusion coefficient, hydrogen bonding and energy distribution were investigated. A field induced threshold effect is observed, where the dielectric constant noticeably increases with the increase of field intensity. It is noted that the molecular diffusion is nonlinear fluctuation under the microwave field. The non-thermal effect has a major influence on the hydrogen bond network are exhibited. And the relevant mechanism of microwave field-dependence hydrogen bond dynamics is discussed. This work may be expected to provide a new technique for the extraction of herbal medicine and environmental protection on basis of the SCW-MW properties.

Suggested Citation

  • Hu, Ying & Jia, Guozhu, 2021. "Non-thermal effect of microwave in supercritical water: A molecular dynamics simulation study," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 564(C).
    • Handle: RePEc:eee:phsmap:v:564:y:2021:i:c:s0378437120306737
    DOI: 10.1016/j.physa.2020.125275
    as

    Download full text from publisher

    File URL: http://www.sciencedirect.com/science/article/pii/S0378437120306737
    Download Restriction: Full text for ScienceDirect subscribers only. Journal offers the option of making the article available online on Science direct for a fee of $3,000
    File URL: https://libkey.io/10.1016/j.physa.2020.125275?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. Kostas, Emily T. & Beneroso, Daniel & Robinson, John P., 2017. "The application of microwave heating in bioenergy: A review on the microwave pre-treatment and upgrading technologies for biomass," Renewable and Sustainable Energy Reviews, Elsevier, vol. 77(C), pages 12-27.
    2. Li, Di & Jia, Guo-zhu, 2016. "Dielectric properties of SPC/E and TIP4P under the static electric field and microwave field," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 449(C), pages 348-356.
    Full references (including those not matched with items on IDEAS)

    Citations

    Citations are extracted by the CitEc Project, subscribe to its RSS feed for this item.
    as


    Cited by:

    1. Yuqian Qiao & Yingde Xu & Xiangmei Liu & Yufeng Zheng & Bo Li & Yong Han & Zhaoyang Li & Kelvin Wai Kwok Yeung & Yanqin Liang & Shengli Zhu & Zhenduo Cui & Shuilin Wu, 2022. "Microwave assisted antibacterial action of Garcinia nanoparticles on Gram-negative bacteria," Nature Communications, Nature, vol. 13(1), pages 1-13, December.
    2. Luo, Juan & Ma, Rui & Lin, Junhao & Sun, Shichang & Gong, Guojin & Sun, Jiaman & Chen, Yi & Ma, Ning, 2023. "Review of microwave pyrolysis of sludge to produce high quality biogas: Multi-perspectives process optimization and critical issues proposal," Renewable and Sustainable Energy Reviews, Elsevier, vol. 173(C).

    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. M'Arimi, M.M. & Mecha, C.A. & Kiprop, A.K. & Ramkat, R., 2020. "Recent trends in applications of advanced oxidation processes (AOPs) in bioenergy production: Review," Renewable and Sustainable Energy Reviews, Elsevier, vol. 121(C).
    2. Wang, Ping & Liu, Chaoqi & Chang, Juan & Yin, Qingqiang & Huang, Weiwei & Liu, Yang & Dang, Xiaowei & Gao, Tianzeng & Lu, Fushan, 2019. "Effect of physicochemical pretreatments plus enzymatic hydrolysis on the composition and morphologic structure of corn straw," Renewable Energy, Elsevier, vol. 138(C), pages 502-508.
    3. Li, Boyu & Fan, Xing & Yu, Senshen & Xia, Hongying & Nong, Yonghong & Bian, Junping & Sun, Mingyu & Zi, Wenhua, 2023. "Microwave heating of biomass waste residues for sustainable bioenergy and biomass materials preparation: A parametric simulation study," Energy, Elsevier, vol. 274(C).
    4. Kan, Tao & Strezov, Vladimir & Evans, Tim & He, Jing & Kumar, Ravinder & Lu, Qiang, 2020. "Catalytic pyrolysis of lignocellulosic biomass: A review of variations in process factors and system structure," Renewable and Sustainable Energy Reviews, Elsevier, vol. 134(C).
    5. Sangjan, Amornrat & Ngamsiri, Pornthip & Klomkliang, Nikom & Wu, Kevin C.-W. & Matsagar, Babasaheb M. & Ratchahat, Sakhon & Liu, Chen-Guang & Laosiripojana, Navadol & Sakdaronnarong, Chularat, 2020. "Effect of microwave-assisted wet torrefaction on liquefaction of biomass from palm oil and sugarcane wastes to bio-oil and carbon nanodots/nanoflakes by hydrothermolysis and solvothermolysis," Renewable Energy, Elsevier, vol. 154(C), pages 1204-1217.
    6. He, Chao & Tang, Chunyan & Li, Chuanhao & Yuan, Jihui & Tran, Khanh-Quang & Bach, Quang-Vu & Qiu, Rongliang & Yang, Yanhui, 2018. "Wet torrefaction of biomass for high quality solid fuel production: A review," Renewable and Sustainable Energy Reviews, Elsevier, vol. 91(C), pages 259-271.
    7. Falciglia, Pietro P. & Roccaro, Paolo & Bonanno, Lorenzo & De Guidi, Guido & Vagliasindi, Federico G.A. & Romano, Stefano, 2018. "A review on the microwave heating as a sustainable technique for environmental remediation/detoxification applications," Renewable and Sustainable Energy Reviews, Elsevier, vol. 95(C), pages 147-170.
    8. Song, Guohui & Xiao, Jun & Yan, Chao & Gu, Haiming & Zhao, Hao, 2022. "Quality of gaseous biofuels: Statistical assessment and guidance on production technologies," Renewable and Sustainable Energy Reviews, Elsevier, vol. 169(C).
    9. Scherzinger, Marvin & Kaltschmitt, Martin, 2021. "Thermal pre-treatment options to enhance anaerobic digestibility – A review," Renewable and Sustainable Energy Reviews, Elsevier, vol. 137(C).
    10. Kostas, Emily T. & Adams, Jessica M.M. & Ruiz, Héctor A. & Durán-Jiménez, Gabriela & Lye, Gary J., 2021. "Macroalgal biorefinery concepts for the circular bioeconomy: A review on biotechnological developments and future perspectives," Renewable and Sustainable Energy Reviews, Elsevier, vol. 151(C).
    11. He, Lu & Ma, Yue & Yue, Changtao & Li, Shuyuan & Tang, Xun, 2022. "The heating performance and kinetic behaviour of oil shale during microwave pyrolysis," Energy, Elsevier, vol. 244(PB).
    12. Martin J. Taylor & Hassan A. Alabdrabalameer & Vasiliki Skoulou, 2019. "Choosing Physical, Physicochemical and Chemical Methods of Pre-Treating Lignocellulosic Wastes to Repurpose into Solid Fuels," Sustainability, MDPI, vol. 11(13), pages 1-27, June.
    13. Rezania, Shahabaldin & Oryani, Bahareh & Cho, Jinwoo & Talaiekhozani, Amirreza & Sabbagh, Farzaneh & Hashemi, Beshare & Rupani, Parveen Fatemeh & Mohammadi, Ali Akbar, 2020. "Different pretreatment technologies of lignocellulosic biomass for bioethanol production: An overview," Energy, Elsevier, vol. 199(C).
    14. Antonios Nazos & Panagiotis Grammelis & Elias Sakellis & Dimitrios Sidiras, 2020. "Acid-Catalyzed Wet Torrefaction for Enhancing the Heating Value of Barley Straw," Energies, MDPI, vol. 13(7), pages 1-16, April.
    15. Li, Chao & Sun, Yifan & Dong, Dehua & Gao, Guanggang & Zhang, Shu & Wang, Yi & Xiang, Jun & Hu, Song & Mortaza, Gholizadeh & Hu, Xun, 2021. "Co-pyrolysis of cellulose/lignin and sawdust: Influence of secondary condensation of the volatiles on characteristics of biochar," Energy, Elsevier, vol. 226(C).
    16. Gholizadeh, Mortaza & Hu, Xun & Liu, Qing, 2019. "A mini review of the specialties of the bio-oils produced from pyrolysis of 20 different biomasses," Renewable and Sustainable Energy Reviews, Elsevier, vol. 114(C), pages 1-1.
    17. Zhang, Yaning & Ke, Cunfeng & Fu, Wenming & Cui, Yunlei & Rehan, Mirza Abdullah & Li, Bingxi, 2020. "Simulation of microwave-assisted gasification of biomass: A review," Renewable Energy, Elsevier, vol. 154(C), pages 488-496.
    18. Zhang, Haiyan & Han, Lujia & Dong, Hongmin, 2021. "An insight to pretreatment, enzyme adsorption and enzymatic hydrolysis of lignocellulosic biomass: Experimental and modeling studies," Renewable and Sustainable Energy Reviews, Elsevier, vol. 140(C).

    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:phsmap:v:564:y:2021:i:c:s0378437120306737. 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/physica-a-statistical-mechpplications/ .

    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.