IDEAS home Printed from https://ideas.repec.org/a/eee/energy/v276y2023ics0360544223008307.html
   My bibliography  Save this article

Removal of oxygen-containing functional groups during hydrothermal carbonization of biomass: Experimental and DFT study

Author

Listed:
  • Dang, Han
  • Xu, Runsheng
  • Zhang, Jianliang
  • Wang, Mingyong
  • Ye, Lian
  • Jia, Guoli

Abstract

The main purpose of this study was to investigate the evolution of oxygen-containing functional groups in the hydrothermal carbonization (HTC) of biomass using 13C DP/MAS NMR. Meanwhile, some other physicochemical properties were also studied. After HTC at 260 °C, the peak strength of O-alk decreased by 47.64% and that of aro-C increased by 28.62%, indicating that HTC could lead to severe dehydroxylation, decarboxylation and aromatization reactions. According to the results of density functional theory (DFT), the ESP values of cellulose molecular surface mainly concentrated between −25 kcal/mol-15 kcal/mol, and the difficulty of removing oxygen-containing functional groups from difficult to easy follows the order: (C5H9O)CH2–OH > (C5H9O)–CH2OH > (C5H9O2)–OH(4) > CH3O–CH3 > (C5H9O2)–OH(3) > (C5H9O)O–CH3 > (C5H9O)–OCH3. Compared with the raw sample, hydrochars have higher aromatics and calorific value, which indicates that HTC can transform biomass into higher grade fuel, providing the possibility to alleviate the depletion of fossil resources.

Suggested Citation

  • Dang, Han & Xu, Runsheng & Zhang, Jianliang & Wang, Mingyong & Ye, Lian & Jia, Guoli, 2023. "Removal of oxygen-containing functional groups during hydrothermal carbonization of biomass: Experimental and DFT study," Energy, Elsevier, vol. 276(C).
    • Handle: RePEc:eee:energy:v:276:y:2023:i:c:s0360544223008307
    DOI: 10.1016/j.energy.2023.127436
    as

    Download full text from publisher

    File URL: http://www.sciencedirect.com/science/article/pii/S0360544223008307
    Download Restriction: Full text for ScienceDirect subscribers only
    File URL: https://libkey.io/10.1016/j.energy.2023.127436?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. Mousa, Elsayed & Wang, Chuan & Riesbeck, Johan & Larsson, Mikael, 2016. "Biomass applications in iron and steel industry: An overview of challenges and opportunities," Renewable and Sustainable Energy Reviews, Elsevier, vol. 65(C), pages 1247-1266.
    2. Erlach, B. & Harder, B. & Tsatsaronis, G., 2012. "Combined hydrothermal carbonization and gasification of biomass with carbon capture," Energy, Elsevier, vol. 45(1), pages 329-338.
    3. Wang, Guangwei & Zhang, Jianliang & Lee, Jui-Yuan & Mao, Xiaoming & Ye, Lian & Xu, Wanren & Ning, Xiaojun & Zhang, Nan & Teng, Haipeng & Wang, Chuan, 2020. "Hydrothermal carbonization of maize straw for hydrochar production and its injection for blast furnace," Applied Energy, Elsevier, vol. 266(C).
    4. Shen, Yafei & Yu, Shili & Ge, Shun & Chen, Xingming & Ge, Xinlei & Chen, Mindong, 2017. "Hydrothermal carbonization of medical wastes and lignocellulosic biomass for solid fuel production from lab-scale to pilot-scale," Energy, Elsevier, vol. 118(C), pages 312-323.
    5. Andreoni, V. & Galmarini, S., 2012. "Decoupling economic growth from carbon dioxide emissions: A decomposition analysis of Italian energy consumption," Energy, Elsevier, vol. 44(1), pages 682-691.
    6. Wang, Guangwei & Zhang, Jianliang & Zhang, Guohua & Ning, Xiaojun & Li, Xinyu & Liu, Zhengjian & Guo, Jian, 2017. "Experimental and kinetic studies on co-gasification of petroleum coke and biomass char blends," Energy, Elsevier, vol. 131(C), pages 27-40.
    7. Yao, Zhongliang & Ma, Xiaoqian, 2017. "A new approach to transforming PVC waste into energy via combined hydrothermal carbonization and fast pyrolysis," Energy, Elsevier, vol. 141(C), pages 1156-1165.
    8. Chen, Lihong & Cong, Rong-Gang & Shu, Bangrong & Mi, Zhi-Fu, 2017. "A sustainable biogas model in China: The case study of Beijing Deqingyuan biogas project," Renewable and Sustainable Energy Reviews, Elsevier, vol. 78(C), pages 773-779.
    9. Yu, Yan & Wu, Jie & Ren, Xueyong & Lau, Anthony & Rezaei, Hamid & Takada, Masatsugu & Bi, Xiaotao & Sokhansanj, Shahabbadine, 2022. "Steam explosion of lignocellulosic biomass for multiple advanced bioenergy processes: A review," Renewable and Sustainable Energy Reviews, Elsevier, vol. 154(C).
    10. Liang, Wang & Wang, Guangwei & Jiao, Kexin & Ning, Xiaojun & Zhang, Jianliang & Guo, Xingmin & Li, Jinhua & Wang, Chuan, 2021. "Conversion mechanism and gasification kinetics of biomass char during hydrothermal carbonization," Renewable Energy, Elsevier, vol. 173(C), pages 318-328.
    11. Kambo, Harpreet Singh & Dutta, Animesh, 2014. "Strength, storage, and combustion characteristics of densified lignocellulosic biomass produced via torrefaction and hydrothermal carbonization," Applied Energy, Elsevier, vol. 135(C), pages 182-191.
    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. Beibei Xu & Min Chang & Chengguo Fu & Jiale Han & Yahui Wang & Yipeng Feng & Zhiping Zhang, 2024. "Effect of Preparation Process on the Physicochemical Properties of Activated Carbon Prepared from Corn Stalks," Agriculture, MDPI, vol. 14(3), pages 1-17, February.

    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. Ning, Xiaojun & Dang, Han & Xu, Runsheng & Wang, Guangwei & Zhang, Jianliang & Zhang, Nan & Wang, Chuan, 2022. "Co-hydrothermal carbonization of biomass and PVC for clean blast furnace injection fuel production: Experiment and DFT calculation," Renewable Energy, Elsevier, vol. 187(C), pages 156-168.
    2. Ye, Lian & Zhang, Jianliang & Wang, Guangwei & Wang, Chen & Mao, Xiaoming & Ning, Xiaojun & Zhang, Nan & Teng, Haipeng & Li, Jinhua & Wang, Chuan, 2023. "Feasibility analysis of plastic and biomass hydrochar for blast furnace injection," Energy, Elsevier, vol. 263(PD).
    3. Liang, Wang & Wang, Guangwei & Xu, Runsheng & Ning, Xiaojun & Zhang, Jianliang & Guo, Xingmin & Ye, Lian & Li, Jinhua & Jiang, Chunhe & Wang, Peng & Wang, Chuan, 2022. "Hydrothermal carbonization of forest waste into solid fuel: Mechanism and combustion behavior," Energy, Elsevier, vol. 246(C).
    4. Kumar, Mayank & Olajire Oyedun, Adetoyese & Kumar, Amit, 2018. "A review on the current status of various hydrothermal technologies on biomass feedstock," Renewable and Sustainable Energy Reviews, Elsevier, vol. 81(P2), pages 1742-1770.
    5. Sun, Minmin & Zhang, Jianliang & Li, Kejiang & Barati, Mansoor & Liu, Zhibin, 2022. "Co-gasification characteristics of coke blended with hydro-char and pyro-char from bamboo," Energy, Elsevier, vol. 241(C).
    6. Yao, Zhongliang & Ma, Xiaoqian & Xiao, Zhiyuan, 2020. "The effect of two pretreatment levels on the pyrolysis characteristics of water hyacinth," Renewable Energy, Elsevier, vol. 151(C), pages 514-527.
    7. Wei, Yingyuan & Fakudze, Sandile & Zhang, Yiming & Ma, Ru & Shang, Qianqian & Chen, Jianqiang & Liu, Chengguo & Chu, Qiulu, 2022. "Co-hydrothermal carbonization of pomelo peel and PVC for production of hydrochar pellets with enhanced fuel properties and dechlorination," Energy, Elsevier, vol. 239(PD).
    8. Tao Li & Guangwei Wang & Heng Zhou & Xiaojun Ning & Cuiliu Zhang, 2022. "Numerical Simulation Study on the Effects of Co-Injection of Pulverized Coal and Hydrochar into the Blast Furnace," Sustainability, MDPI, vol. 14(8), pages 1-13, April.
    9. Zhuang, Xiuzheng & Liu, Jianguo & Zhang, Qi & Wang, Chenguang & Zhan, Hao & Ma, Longlong, 2022. "A review on the utilization of industrial biowaste via hydrothermal carbonization," Renewable and Sustainable Energy Reviews, Elsevier, vol. 154(C).
    10. Wang, Qi & Wang, Enlu & Chionoso, Oguga Paul, 2022. "Numerical simulation of the synergistic effect of combustion for the hydrochar /coal blends in a blast furnace," Energy, Elsevier, vol. 238(PB).
    11. Liang, Wang & Wang, Guangwei & Jiao, Kexin & Ning, Xiaojun & Zhang, Jianliang & Guo, Xingmin & Li, Jinhua & Wang, Chuan, 2021. "Conversion mechanism and gasification kinetics of biomass char during hydrothermal carbonization," Renewable Energy, Elsevier, vol. 173(C), pages 318-328.
    12. Zhang, Deli & Wang, Fang & Shen, Xiuli & Yi, Weiming & Li, Zhihe & Li, Yongjun & Tian, Chunyan, 2018. "Comparison study on fuel properties of hydrochars produced from corn stalk and corn stalk digestate," Energy, Elsevier, vol. 165(PB), pages 527-536.
    13. Anna Biniek-Poskart & Marcin Sajdak & Magdalena Skrzyniarz & Jakub Rzącki & Andrzej Skibiński & Monika Zajemska, 2023. "The Application of Lignocellulosic Biomass Waste in the Iron and Steel Industry in the Context of Challenges Related to the Energy Crisis," Energies, MDPI, vol. 16(18), pages 1-25, September.
    14. Suopajärvi, Hannu & Umeki, Kentaro & Mousa, Elsayed & Hedayati, Ali & Romar, Henrik & Kemppainen, Antti & Wang, Chuan & Phounglamcheik, Aekjuthon & Tuomikoski, Sari & Norberg, Nicklas & Andefors, Alf , 2018. "Use of biomass in integrated steelmaking – Status quo, future needs and comparison to other low-CO2 steel production technologies," Applied Energy, Elsevier, vol. 213(C), pages 384-407.
    15. Luo, Tao & Khoshnevisan, Benyamin & Huang, Ruyi & Chen, Qiu & Mei, Zili & Pan, Junting & Liu, Hongbin, 2020. "Analysis of revolution in decentralized biogas facilities caused by transition in Chinese rural areas," Renewable and Sustainable Energy Reviews, Elsevier, vol. 133(C).
    16. Shirzad, Mohammad & Kazemi Shariat Panahi, Hamed & Dashti, Behrouz B. & Rajaeifar, Mohammad Ali & Aghbashlo, Mortaza & Tabatabaei, Meisam, 2019. "A comprehensive review on electricity generation and GHG emission reduction potentials through anaerobic digestion of agricultural and livestock/slaughterhouse wastes in Iran," Renewable and Sustainable Energy Reviews, Elsevier, vol. 111(C), pages 571-594.
    17. Kumari, Rajni & Kumar, Manish & Vivekanand, V. & Pareek, Nidhi, 2023. "Chitin biorefinery: A narrative and prophecy of crustacean shell waste sustainable transformation into bioactives and renewable energy," Renewable and Sustainable Energy Reviews, Elsevier, vol. 184(C).
    18. Wang, Zhiwei & Lei, Tingzhou & Chang, Xia & Shi, Xinguang & Xiao, Ju & Li, Zaifeng & He, Xiaofeng & Zhu, Jinling & Yang, Shuhua, 2015. "Optimization of a biomass briquette fuel system based on grey relational analysis and analytic hierarchy process: A study using cornstalks in China," Applied Energy, Elsevier, vol. 157(C), pages 523-532.
    19. Song, Xiaobing & Zhang, Shouyu & Wu, Yuanmo & Cao, Zhongyao, 2020. "Investigation on the properties of the bio-briquette fuel prepared from hydrothermal pretreated cotton stalk and wood sawdust," Renewable Energy, Elsevier, vol. 151(C), pages 184-191.
    20. Fan, Xiangyu & Liu, Yang & Wang, Mingdeng & Li, Chao & Zheng, Yajie & Liu, Yang & Zhong, Xiangyun & Xu, Guozhong & Zhang, Yaru & Feng, Yifei & Bai, Bin & Bai, Jinfeng, 2023. "Production of highly reactive cokes by adding alkali metals and alkaline earth metals and their effect mechanism," Energy, Elsevier, vol. 284(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:energy:v:276:y:2023:i:c:s0360544223008307. 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.