IDEAS home Printed from https://ideas.repec.org/a/gam/jeners/v13y2020i10p2587-d360350.html
   My bibliography  Save this article

Study on the CO Formation Mechanism during Coal Ambient Temperature Oxidation

Author

Listed:
  • Shuo Liu

    (College of Safety and Emergency Management Engineering, Taiyuan University of Technology, Taiyuan 030024, China)

  • Yuguo Wu

    (College of Safety and Emergency Management Engineering, Taiyuan University of Technology, Taiyuan 030024, China
    Shanxi Engineering Research Center for Mine Ventilation and Fire Prevention, Taiyuan 030024, China)

  • Chunshan Zhou

    (College of Safety and Emergency Management Engineering, Taiyuan University of Technology, Taiyuan 030024, China
    Shanxi Engineering Research Center for Mine Ventilation and Fire Prevention, Taiyuan 030024, China)

  • Jianming Wu

    (Shanxi Engineering Research Center for Mine Ventilation and Fire Prevention, Taiyuan 030024, China)

  • Yulong Zhang

    (College of Safety and Emergency Management Engineering, Taiyuan University of Technology, Taiyuan 030024, China
    Shanxi Engineering Research Center for Mine Ventilation and Fire Prevention, Taiyuan 030024, China)

Abstract

The CO formation rules of coal were analyzed by a self-developed testing device under ambient temperature. The changes of functional groups caused by oxidation were obtained using Fourier-transform infrared spectroscopy (FTIR). The experimental results showed that CO was generated during the ambient temperature oxidation. The highest concentration level of CO could be 389 ppm. The methylene and aldehyde groups on the side chains were involved in the reaction. For the quantum mechanical approach, we employed the density functional theory with the 6–31 G (d, p) basis set. Density functional theory–based computations interpreted the possible reaction sites on a coal molecule by electronic static potential analysis. The rationality of the predicted reactions was also evaluated by transition state analysis and energy analysis. This research theoretically proved that coal could be oxidized to carbon monoxide under ambient temperatures and gave the possible reaction paths.

Suggested Citation

  • Shuo Liu & Yuguo Wu & Chunshan Zhou & Jianming Wu & Yulong Zhang, 2020. "Study on the CO Formation Mechanism during Coal Ambient Temperature Oxidation," Energies, MDPI, vol. 13(10), pages 1-11, May.
  • Handle: RePEc:gam:jeners:v:13:y:2020:i:10:p:2587-:d:360350
    as

    Download full text from publisher

    File URL: https://www.mdpi.com/1996-1073/13/10/2587/pdf
    Download Restriction: no

    File URL: https://www.mdpi.com/1996-1073/13/10/2587/
    Download Restriction: no
    ---><---

    Citations

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


    Cited by:

    1. Li, Lei & Ren, Ting & Zhong, Xiaoxing & Wang, Jiantao, 2022. "Study of ambient temperature oxidation in low metamorphic coal and the oxidation mechanism," Energy, Elsevier, vol. 252(C).
    2. Lei Li & Ting Ren & Xiaoxing Zhong & Jiantao Wang, 2023. "Study of the Oxidation Characteristics and CO Production Mechanism of Low-Rank Coal Goaf," Energies, MDPI, vol. 16(8), pages 1-16, April.
    3. Lei Li & Ting Ren & Xiaoxing Zhong & Jiantao Wang, 2022. "Study of the Abnormal CO-Exceedance Phenomenon in the Tailgate Corner of a Low Metamorphic Coal Seam," Energies, MDPI, vol. 15(15), pages 1-16, July.

    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:gam:jeners:v:13:y:2020:i:10:p:2587-:d:360350. 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.

    We have no bibliographic references for this item. You can help adding them by using 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: MDPI Indexing Manager (email available below). General contact details of provider: https://www.mdpi.com .

    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.