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Synergistic mechanism of enhanced biocrude production during hydrothermal co-liquefaction of biomass model components: A molecular dynamics simulation

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  • Yan, Shuo
  • Xia, Dehong
  • Zhang, Xinru
  • Liu, Xiangjun

Abstract

Hydrothermal co-liquefaction is a desirable technology for biocrude production from various biomass feedstocks, however, the insight into the mechanism of chemical reactions between biomass model components remains a huge challenge. To address this challenge, a detailed synergistic mechanism between model components was proposed based on molecular dynamics simulations for hydrothermal liquefaction (HTL) of cellulose, hemicellulose, lignin, lipid, and their mixtures. During the HTL process, the generation of aqueous phase products from cellulose and hemicellulose, polycyclic aromatic hydrocarbons from lignin, as well as undepolymerized macromolecules and carbon deposits from lipid hindered biocrude production from each component. As expected, synergistic interactions occurred between model components and enhanced biocrude produced from each component at a relatively mild HTL condition. Impressively, synergistic interactions were related to the transmission of reactive –OH groups between different biomolecules with the assistance of H2O molecules at transcritical states. By considering the interactions, a new and more versatile biocrude yield prediction model was developed based on biochemical compositions of feedstocks and reaction temperature. This work will provide new insight into potential interactions between biomass components and give a theoretical basis for feedstock “designing” in HTL of biomass wastes.

Suggested Citation

  • Yan, Shuo & Xia, Dehong & Zhang, Xinru & Liu, Xiangjun, 2022. "Synergistic mechanism of enhanced biocrude production during hydrothermal co-liquefaction of biomass model components: A molecular dynamics simulation," Energy, Elsevier, vol. 255(C).
    • Handle: RePEc:eee:energy:v:255:y:2022:i:c:s0360544222014645
    DOI: 10.1016/j.energy.2022.124561
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    1. Gundupalli, Marttin Paulraj & Bhattacharyya, Debraj, 2021. "Hydrothermal liquefaction of residues of Cocos nucifera (coir and pith) using subcritical water: Process optimization and product characterization," Energy, Elsevier, vol. 236(C).
    2. Toor, Saqib Sohail & Rosendahl, Lasse & Rudolf, Andreas, 2011. "Hydrothermal liquefaction of biomass: A review of subcritical water technologies," Energy, Elsevier, vol. 36(5), pages 2328-2342.
    3. Yang, Jie & He, Quan (Sophia) & Niu, Haibo & Corscadden, Kenneth & Astatkie, Tess, 2018. "Hydrothermal liquefaction of biomass model components for product yield prediction and reaction pathways exploration," Applied Energy, Elsevier, vol. 228(C), pages 1618-1628.
    4. Zhu, Zhe & Rosendahl, Lasse & Toor, Saqib Sohail & Yu, Donghong & Chen, Guanyi, 2015. "Hydrothermal liquefaction of barley straw to bio-crude oil: Effects of reaction temperature and aqueous phase recirculation," Applied Energy, Elsevier, vol. 137(C), pages 183-192.
    5. Akhtar, Javaid & Amin, Nor Aishah Saidina, 2011. "A review on process conditions for optimum bio-oil yield in hydrothermal liquefaction of biomass," Renewable and Sustainable Energy Reviews, Elsevier, vol. 15(3), pages 1615-1624, April.
    6. Chen, Cheng & Volpe, Roberto & Jiang, Xi, 2021. "A molecular investigation on lignin thermochemical conversion and carbonaceous organics deposition induced catalyst deactivation," Applied Energy, Elsevier, vol. 302(C).
    7. Feng, Shanghuan & Wei, Rufei & Leitch, Mathew & Xu, Chunbao Charles, 2018. "Comparative study on lignocellulose liquefaction in water, ethanol, and water/ethanol mixture: Roles of ethanol and water," Energy, Elsevier, vol. 155(C), pages 234-241.
    8. Qian, Yejian & Zuo, Chengji & Tan, Jian & He, Jianhui, 2007. "Structural analysis of bio-oils from sub-and supercritical water liquefaction of woody biomass," Energy, Elsevier, vol. 32(3), pages 196-202.
    9. Yuan, X.Z. & Li, H. & Zeng, G.M. & Tong, J.Y. & Xie, W., 2007. "Sub- and supercritical liquefaction of rice straw in the presence of ethanol–water and 2-propanol–water mixture," Energy, Elsevier, vol. 32(11), pages 2081-2088.
    10. Yang, Jie & He, Quan (Sophia) & Corscadden, Kenneth & Niu, Haibo & Lin, Jianan & Astatkie, Tess, 2019. "Advanced models for the prediction of product yield in hydrothermal liquefaction via a mixture design of biomass model components coupled with process variables," Applied Energy, Elsevier, vol. 233, pages 906-915.
    11. Yang, Jie & (Sophia) He, Quan & Yang, Linxi, 2019. "A review on hydrothermal co-liquefaction of biomass," Applied Energy, Elsevier, vol. 250(C), pages 926-945.
    12. Dimitriadis, Athanasios & Bezergianni, Stella, 2017. "Hydrothermal liquefaction of various biomass and waste feedstocks for biocrude production: A state of the art review," Renewable and Sustainable Energy Reviews, Elsevier, vol. 68(P1), pages 113-125.
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    1. Lang, Sen & Zhang, Shouyu & Zhou, Yi & Yang, Jifan & Liu, Simeng & Zhang, Xingjia & Chen, Xuyang & Lyu, Bangyong & Liang, Ning, 2024. "Research on the hot densification mechanism of biomass wastes based on molecular dynamics simulation and components adjustment method," Energy, Elsevier, vol. 294(C).

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