In this section, you can access to the latest technical information related to the FUTURE project topic.

Mechanism study of ternary deep eutectic solvents with protonic acid for lignin fractionation

This paper investigated the fractionation of lignin by ternary DES of different polyols using simulation calculation. ChCl-EG-PTSA showed the highest degradability of lignin with the absolute value of total interaction energy of ?8023.80?kJ/mol, and the total number of hydrogen bonds was 91.4. The highest degradability was observed for ChCl:EG: PTSA?=?2:4:1. The results show that CL? plays a dominant role in lignin fractionation and readily forms hydrogen bonds with ?-OH. The difference is that the polyol preferred to form hydrogen bonds with ?-OH in lignin. The addition of PTSA provided protons to the original system. It formed a new ?-? stacking interaction with the lignin benzene ring, which destroyed the ?-? stacking interaction between the original lignin. And increased the interaction of DES on lignin from ?39.73?kcal/mol to ?58.15?kcal/mol based on DFT.

» Author: Weixian Wang, Baoping Zhu, Yang Xu, Bin Li, Huanfei Xu

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