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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
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    Citations

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    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.

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