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Reaction pathways of hemicellulose and mechanism of biomass pyrolysis in hydrogen plasma: A density functional theory study

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  • Huang, Xiaoyuan
  • Cheng, Dang-guo
  • Chen, Fengqiu
  • Zhan, Xiaoli

Abstract

In this work, the reaction pathways of hemicellulose were investigated for a complete understanding of the mechanism of biomass pyrolysis in thermal plasma. Energies of the possible reaction pathways of three model compounds of hemicellulose, xylose, O-acetyl xylose and 4-O-MeGlcA, in hydrogen plasma were estimated through density functional theory (DFT), and the most favorable reaction routes were proposed. Combining with our previous work, the effects of the biomass composition on their pyrolysis behavior in hydrogen plasma were discussed, and the production distribution was predicted. The reaction mechanism of biomass pyrolysis in hydrogen plasma was clarified finally, which indicated that active H in plasma played a very important role in dehydrogenation reactions.

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  • Huang, Xiaoyuan & Cheng, Dang-guo & Chen, Fengqiu & Zhan, Xiaoli, 2016. "Reaction pathways of hemicellulose and mechanism of biomass pyrolysis in hydrogen plasma: A density functional theory study," Renewable Energy, Elsevier, vol. 96(PA), pages 490-497.
    • Handle: RePEc:eee:renene:v:96:y:2016:i:pa:p:490-497
    DOI: 10.1016/j.renene.2016.04.080
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    References listed on IDEAS

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    1. Hamad, Mohamed A. & Radwan, Aly M. & Heggo, Dalia A. & Moustafa, Tarek, 2016. "Hydrogen rich gas production from catalytic gasification of biomass," Renewable Energy, Elsevier, vol. 85(C), pages 1290-1300.
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    3. Gani, Asri & Naruse, Ichiro, 2007. "Effect of cellulose and lignin content on pyrolysis and combustion characteristics for several types of biomass," Renewable Energy, Elsevier, vol. 32(4), pages 649-661.
    4. Goumri-Said, Souraya & Ahmed, Rashid & Kanoun, Mohammed Benali, 2016. "Density-functional theory study of high hydrogen content complex hydrides Mg(BH4)2 at low temperature," Renewable Energy, Elsevier, vol. 90(C), pages 114-119.
    5. Collard, François-Xavier & Blin, Joël, 2014. "A review on pyrolysis of biomass constituents: Mechanisms and composition of the products obtained from the conversion of cellulose, hemicelluloses and lignin," Renewable and Sustainable Energy Reviews, Elsevier, vol. 38(C), pages 594-608.
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    Cited by:

    1. Ansari, Khursheed B. & Kamal, Bushra & Beg, Sidra & Wakeel Khan, Md. Aquib & Khan, Mohd Shariq & Al Mesfer, Mohammed K. & Danish, Mohd., 2021. "Recent developments in investigating reaction chemistry and transport effects in biomass fast pyrolysis: A review," Renewable and Sustainable Energy Reviews, Elsevier, vol. 150(C).
    2. Tamer Y. A. Fahmy & Yehia Fahmy & Fardous Mobarak & Mohamed El-Sakhawy & Ragab E. Abou-Zeid, 2020. "Biomass pyrolysis: past, present, and future," Environment, Development and Sustainability: A Multidisciplinary Approach to the Theory and Practice of Sustainable Development, Springer, vol. 22(1), pages 17-32, January.
    3. Neto, Abel F.G. & Marques, Francisco C. & Amador, Adriana T. & Ferreira, Amanda D.S. & Neto, Antonio M.J.C., 2019. "DFT and canonical ensemble investigations on the thermodynamic properties of Syngas and natural gas/Syngas mixtures," Renewable Energy, Elsevier, vol. 130(C), pages 495-509.

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