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Unveiling the pyrolysis mechanisms of cellulose: Experimental and theoretical studies

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  • Yang, Xiaoxiao
  • Fu, Zewu
  • Han, Duoduo
  • Zhao, Yuying
  • Li, Rui
  • Wu, Yulong

Abstract

Biomass pyrolysis is a renewable technology for the production of bio-oil and chemicals. The present study aims to develop a fundamental and plausible model for cellulose pyrolysis. The product formation characteristics of cellulose pyrolysis were investigated via Py-GC/MS and TGA-FTIR spectroscopy. The density functional theory method was employed to calculate the energy barriers of different pathways, and the formation and interaction mechanisms of the three most abundant components, levoglucosan, hydroxyacetaldehyde, and pyruvaldehyde, were compared. Levoglucosan is most likely formed via a concerted mechanism; hydroxyacetaldehyde can be formed from C1-C2 and C5-C6 via a ring-opening reaction and dehydration, while pyruvaldehyde is produced via ring opening, followed by dehydration and retro-aldol reactions. Related to the variations in products, the formation of hydroxyacetaldehyde and pyruvaldehyde was suggested to compete with that of levoglucosan. Based on the experimental and theoretical results, a plausible reaction scheme was proposed. By accounting for these main reactions, approximately 80% (in relative area) of the products of cellulose pyrolysis were included. This investigation is crucial to downstream process development for biomass and provides guidance for product control.

Suggested Citation

  • Yang, Xiaoxiao & Fu, Zewu & Han, Duoduo & Zhao, Yuying & Li, Rui & Wu, Yulong, 2020. "Unveiling the pyrolysis mechanisms of cellulose: Experimental and theoretical studies," Renewable Energy, Elsevier, vol. 147(P1), pages 1120-1130.
    • Handle: RePEc:eee:renene:v:147:y:2020:i:p1:p:1120-1130
    DOI: 10.1016/j.renene.2019.09.069
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    Cited by:

    1. Li, Chao & Sun, Yifan & Li, Qingyang & Zhang, Lijun & Zhang, Shu & Wang, Huaisheng & Hu, Guangzhi & Hu, Xun, 2022. "Effects of volatiles on properties of char during sequential pyrolysis of PET and cellulose," Renewable Energy, Elsevier, vol. 189(C), pages 139-151.
    2. Tanglei Sun & Lu Zhang & Yantao Yang & Yanling Li & Suxia Ren & Lili Dong & Tingzhou Lei, 2022. "Fast Pyrolysis of Cellulose and the Effect of a Catalyst on Product Distribution," IJERPH, MDPI, vol. 19(24), pages 1-14, December.
    3. Zhu, Haodong & Yi, Baojun & Hu, Hongyun & Fan, Qizhou & Wang, Hao & Yao, Hong, 2021. "The effects of char and potassium on the fast pyrolysis behaviors of biomass in an infrared-heating condition," Energy, Elsevier, vol. 214(C).
    4. Torres, Erick & Rodriguez-Ortiz, Leandro A. & Zalazar, Daniela & Echegaray, Marcelo & Rodriguez, Rosa & Zhang, Huili & Mazza, Germán, 2020. "4-E (environmental, economic, energetic and exergetic) analysis of slow pyrolysis of lignocellulosic waste," Renewable Energy, Elsevier, vol. 162(C), pages 296-307.
    5. Nanduri, Arvind & Kulkarni, Shreesh S. & Mills, Patrick L., 2021. "Experimental techniques to gain mechanistic insight into fast pyrolysis of lignocellulosic biomass: A state-of-the-art review," Renewable and Sustainable Energy Reviews, Elsevier, vol. 148(C).

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