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Deep eutectic solvents-assisted alkali lignin modification for pyrolytic monophenols production.

Chenzhou Wang1, Lanling Liu1, Yutong Liu1

  • 1National Engineering Research Center of New Energy Power Generation, North China Electric Power University, Beijing, 102206, PR China.

International Journal of Biological Macromolecules
|September 11, 2025
PubMed
Summary

Deep eutectic solvents (DES) effectively pretreat alkali lignin (AL), significantly boosting pyrolytic monophenol yields. The ChCl/ethylene glycol (CCEG) system shows high efficiency and economic feasibility for lignin valorization.

Keywords:
Alkali ligninDeep eutectic solventMonophenolsQuantum chemistryReactive molecular dynamicsTechno-economic analysis

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Area of Science:

  • Biomass Conversion
  • Green Chemistry
  • Materials Science

Background:

  • Alkali lignin (AL) valorization is challenging due to impurities and complex structure.
  • Deep eutectic solvents (DES) offer a promising approach for lignin modification.
  • Fast pyrolysis of modified lignin can yield valuable pyrolytic monophenols.

Purpose of the Study:

  • Investigate DES pretreatment of AL for enhanced pyrolytic monophenol production.
  • Analyze AL modification, lignin-DES interactions, and techno-economic feasibility.
  • Optimize DES systems for maximizing yields of 4-vinyl syringol (4VS) and 4-propenyl syringol (4PS).

Main Methods:

  • Pretreatment of alkali lignin using various DES systems.
  • Fast pyrolysis of DES-pretreated alkali lignin (DESAL).
  • Multiscale simulations to understand DES-lignin interactions and reaction pathways.
  • Techno-economic and environmental impact assessment.

Main Results:

  • The ChCl/ethylene glycol (CCEG) DES system significantly enhanced 4VS and 4PS yields to 12.09 wt% with 40.60% selectivity, without catalysts.
  • Multiscale simulations revealed CCEG's low |HOMO-LUMO| energy gap and high interaction energy, with chloride ions crucial for hydrogen bonding.
  • Adduct and acetal structures were synthesized, and their formation pathways modeled.
  • The CCEG system demonstrated negligible environmental impact and high economic feasibility.

Conclusions:

  • DES pretreatment, particularly with CCEG, is a highly effective strategy for alkali lignin valorization.
  • The CCEG system offers a sustainable and economically viable route to produce high yields of pyrolytic monophenols from AL.
  • Understanding DES-lignin interactions through simulation aids in optimizing the process for valuable chemical production.