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<p>Sorbitol is an important biomass-derived platform molecule and a key precursor for isosorbide production via intramolecular dehydration. However, its thermal conversion under non-catalytic conditions involves complex competing reactions. In this study, density functional theory (DFT) calculations were used to investigate the possible dehydration pathways from sorbitol to isosorbide and to compare the reactivity of different hydroxyl sites. Py-GC/MS and TG-FTIR were employed to analyze the volatile products generated during sorbitol pyrolysis under fast pyrolysis and non-isothermal heating conditions, respectively. The results indicate that sorbitol pyrolysis involves dehydration, cyclization, C–C bond cleavage, rearrangement, and secondary reactions, producing CO₂, small oxygenated compounds, furan derivatives, sorbitan intermediates, and isosorbide. Non-isothermal TG-DSC analysis combined with model-free and Coats-Redfern methods was further used to determine the apparent kinetic parameters of the main mass loss stage. The kinetic results show that sorbitol decomposition is a multi-step process, and the selected kinetic model should be regarded as an apparent description rather than a single elementary reaction mechanism. This work provides molecular-level insight into isosorbide formation and a fundamental understanding of the non-catalytic thermal decomposition behavior of sorbitol.</p>

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Thermochemical conversion of biomass-derived sorbitol: a non-isothermal kinetic analysis of pyrolysis

  • 期刊论文

  • 发表日期：

    2026年7月9日

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  • Yanping Zhang,
  • Yi Zeng,
  • Qingyin Wang,
  • Gongying Wang,
  • Wei Bai,
  • Weixin Qian

摘要

Sorbitol is an important biomass-derived platform molecule and a key precursor for isosorbide production via intramolecular dehydration. However, its thermal conversion under non-catalytic conditions involves complex competing reactions. In this study, density functional theory (DFT) calculations were used to investigate the possible dehydration pathways from sorbitol to isosorbide and to compare the reactivity of different hydroxyl sites. Py-GC/MS and TG-FTIR were employed to analyze the volatile products generated during sorbitol pyrolysis under fast pyrolysis and non-isothermal heating conditions, respectively. The results indicate that sorbitol pyrolysis involves dehydration, cyclization, C–C bond cleavage, rearrangement, and secondary reactions, producing CO₂, small oxygenated compounds, furan derivatives, sorbitan intermediates, and isosorbide. Non-isothermal TG-DSC analysis combined with model-free and Coats-Redfern methods was further used to determine the apparent kinetic parameters of the main mass loss stage. The kinetic results show that sorbitol decomposition is a multi-step process, and the selected kinetic model should be regarded as an apparent description rather than a single elementary reaction mechanism. This work provides molecular-level insight into isosorbide formation and a fundamental understanding of the non-catalytic thermal decomposition behavior of sorbitol.