IDEAS home Printed from https://ideas.repec.org/a/eee/energy/v293y2024ics0360544224005115.html
   My bibliography  Save this article

Hydrogen generation mechanism of oil-rich coal oxidation in low temperature

Author

Listed:
  • Wang, Kai
  • Ding, Jiayou
  • Deng, Jun
  • Zhai, Xiaowei
  • Zhang, Yanni

Abstract

This study aims to elucidate the microscopic mechanism of hydrogen generation from characteristic groups during the low-temperature oxidation of oil-rich coal. FTIR experiments were employed to investigate the changes in characteristic groups with temperature, while quantum chemical simulation was utilized to analyze the reaction characteristics and hydrogen production pathways of hydrogen-rich groups. The results indicate that the characteristic groups associated with H2 production include aromatic hydrocarbon side chains, carboxyl groups, aldehyde groups, and hydroxyl groups. Two hydrogen production reaction processes, propyl side chain and allyl side chain, were delineated, revealing that the reactivity of allyl side chain is greater than that of propyl side chain. The primary mechanism of H2 production involves the initial oxygen attack on the methylene structure of both the propyl and allyl side chains in the coal molecule, generating hydroxyl, carboxyl, and aldehyde groups as intermediate products. Subsequently, the hydrogen radical attracts the hydrogen atom on the oxygen atom, leading to O–H bond cleavage, and the combination of two hydrogen radicals forms H2.

Suggested Citation

  • Wang, Kai & Ding, Jiayou & Deng, Jun & Zhai, Xiaowei & Zhang, Yanni, 2024. "Hydrogen generation mechanism of oil-rich coal oxidation in low temperature," Energy, Elsevier, vol. 293(C).
    • Handle: RePEc:eee:energy:v:293:y:2024:i:c:s0360544224005115
    DOI: 10.1016/j.energy.2024.130739
    as

    Download full text from publisher

    File URL: http://www.sciencedirect.com/science/article/pii/S0360544224005115
    Download Restriction: Full text for ScienceDirect subscribers only
    File URL: https://libkey.io/10.1016/j.energy.2024.130739?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. Zhang, Yanni & Shu, Pan & Deng, Jun & Duan, Zhengxiao & Li, Lele & Zhang, Lulu, 2022. "Analysis of oxidation pathways for characteristic groups in coal spontaneous combustion," Energy, Elsevier, vol. 254(PA).
    2. Bai, Zujin & Deng, Jun & Wang, Caiping & Hou, Yanan & Zhang, Yanni & Kang, Furu & Ramakrishna, Seeram, 2023. "Study on the mechanism of lignite oxidation inhibition by antioxidant resveratrol," Energy, Elsevier, vol. 273(C).
    3. Pan, Rongkun & Li, Cong & Chao, Jiangkun & Hu, Daimin & Jia, Hailin, 2023. "Thermal properties and microstructural evolution of coal spontaneous combustion," Energy, Elsevier, vol. 262(PA).
    4. Wang, Kai & Hu, Lihong & Deng, Jun & Zhang, Yanni & Zhang, Jiaxin, 2023. "Inhibiting effect and mechanism of polyethylene glycol - Citric acid on coal spontaneous combustion," Energy, Elsevier, vol. 275(C).
    5. Zhao, Jingyu & Deng, Jun & Chen, Long & Wang, Tao & Song, Jiajia & Zhang, Yanni & Shu, Chi-Min & Zeng, Qiang, 2019. "Correlation analysis of the functional groups and exothermic characteristics of bituminous coal molecules during high-temperature oxidation," Energy, Elsevier, vol. 181(C), pages 136-147.
    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. Wang, Kai & Huang, Hao & Deng, Jun & Zhang, Yanni & Wang, Qun, 2024. "A spatio-temporal temperature prediction model for coal spontaneous combustion based on back propagation neural network," Energy, Elsevier, vol. 294(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. Yang, Xinlei & Chu, Tingxiang & Yu, Minggao & Wang, Liang & Li, Haitao & Wen, Wushuang & Wu, Mingqiu & Wang, Fengchuan & Wang, Jiachen, 2024. "Effect of mechanical energy input during mechanical crushing on the macrokinetics of the coal–oxygen reaction: A laboratory–scale study," Energy, Elsevier, vol. 290(C).
    2. Huang, Jiliang & Tan, Bo & Gao, Liyang & Shao, Zhuangzhuang & Wang, Haiyan & Chen, Zhen, 2023. "A multi-channel reaction model study of key primary and secondary active groups in the low-temperature oxidation process of coal," Energy, Elsevier, vol. 283(C).
    3. Deng, Jun & Yang, Nannan & Wang, Caiping & Yin, Deng & Xiaoyong, Zhao & He, Yongjun, 2023. "Study on staged heat transfer law of coal spontaneous combustion in deep mines," Energy, Elsevier, vol. 285(C).
    4. Huang, Jiliang & Tan, Bo & Gao, Liyang & Fan, Long & Shao, Zhuangzhuang & Wang, Haiyan & Qi, Qingjie, 2024. "Study on the evolution characteristics of molecular surface active sites of low-rank coal in low-temperature oxidation stage," Energy, Elsevier, vol. 294(C).
    5. Zhao, Jingyu & Hang, Gai & Song, Jiajia & Lu, Shiping & Ming, Hanqi & Chang, Jiaming & Deng, Jun & Zhang, Yanni & Shu, Chi-Min, 2023. "Spontaneous oxidation kinetics of weathered coal based upon thermogravimetric characteristics," Energy, Elsevier, vol. 275(C).
    6. Wang, Kai & Huang, Hao & Deng, Jun & Zhang, Yanni & Wang, Qun, 2024. "A spatio-temporal temperature prediction model for coal spontaneous combustion based on back propagation neural network," Energy, Elsevier, vol. 294(C).
    7. Li, Jin-liang & Lu, Wei & Li, Jin-hu & Zhang, Qinsong & Zhuo, Hui, 2022. "Thermodynamics of oxygen-containing intermediates and their role in coal spontaneous combustion," Energy, Elsevier, vol. 260(C).
    8. Gao, Mingqiang & Cheng, Cheng & Miao, Zhenyong & Wan, Keji & He, Qiongqiong, 2023. "Physicochemical properties, combustion kinetics and thermodynamics of oxidized lignite," Energy, Elsevier, vol. 268(C).
    9. Zhang, Leilin & Wen, Chenchen & Li, Shengli & Yang, Mengdan, 2024. "Evolution and oxidation properties of the functional groups of coals after water immersion and air drying," Energy, Elsevier, vol. 288(C).
    10. Fu, Shenguang & Wang, Liang & Li, Shuohao & Ni, Sijia & Cheng, Yuanping & Zhang, Xiaolei & Liu, Shimin, 2024. "Re-thinking methane storage mechanism in highly metamorphic coalbed reservoirs — A molecular simulation considering organic components," Energy, Elsevier, vol. 293(C).
    11. Zhang, Xun & Zou, Jiahui & Lu, Bing & Huang, Ge & Yu, Chen & Liang, Huimin, 2023. "Experimental study on effect of mudstone on spontaneous combustion of coal," Energy, Elsevier, vol. 285(C).
    12. Zhao, Xingguo & Dai, Guanglong & Qin, Ruxiang & Zhou, Liang & Li, Jinhu & Li, Jinliang, 2024. "Spontaneous combustion characteristics of coal based on the oxygen consumption rate integral," Energy, Elsevier, vol. 288(C).
    13. Huang, Zhian & Yu, Rongxia & Ding, Hao & Wang, Hongsheng & Quan, Sainan & Song, Donghong & Lei, Yukun & Gao, Yukun & Zhang, Yinghua & Wang, Pengfei, 2023. "Preparation and properties of tea polyphenol nanofoamed gel for preventing coal spontaneous combustion," Energy, Elsevier, vol. 284(C).
    14. Liu, Hongwei & Wang, Yongzhen & Lv, Liang & Liu, Xiao & Wang, Ziqi & Liu, Jun, 2023. "Oxygen-enriched hierarchical porous carbons derived from lignite for high-performance supercapacitors," Energy, Elsevier, vol. 269(C).
    15. Liu, Qiqi & Liu, Chuang & Ma, Jiayu & Liu, Zhenyi & Sun, Lulu, 2024. "Comprehensive evaluation of low-temperature oxidation characteristics of low-rank bituminous coal and oil shale," Energy, Elsevier, vol. 294(C).
    16. Lu, Wei & Gao, Ao & Sun, Weili & Liang, Yuntao & He, Zhenglong & Li, Jinliang & Sun, Yong & Song, Shuanglin & Meng, Shaocong & Cao, Yingjiazi, 2022. "Experimental study on inhibition of spontaneous combustion of different-rank coals by high-performance m-Cresol water-based inhibitor solutions," Energy, Elsevier, vol. 261(PA).
    17. Li, Jinliang & Lu, Hao & Lu, Wei & Li, Jinhu & Zhang, Qingsong & Zhuo, Hui, 2024. "Study on the kinetic characteristics and control steps of gas production in coal spontaneous combustion under the oxidation path," Energy, Elsevier, vol. 295(C).
    18. Zhai, Xiaowei & Ge, Hui & Wang, Tingyan & Shu, Chi-Min & Li, Jun, 2020. "Effect of water immersion on active functional groups and characteristic temperatures of bituminous coal," Energy, Elsevier, vol. 205(C).
    19. Jiamin Tong & Yongbo Zhang & Na Zhao & Aijing Wu & Feifei Shi & Junxing Chen, 2023. "Study on the Temperature Field Change Characteristics of Coal Gangue Dumps under the Influence of Ambient Temperature in Heat Pipe Treatment," Sustainability, MDPI, vol. 15(20), pages 1-19, October.
    20. Pan, Rongkun & Li, Cong & Chao, Jiangkun & Hu, Daimin & Jia, Hailin, 2023. "Thermal properties and microstructural evolution of coal spontaneous combustion," Energy, Elsevier, vol. 262(PA).

    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:293:y:2024:i:c:s0360544224005115. 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.