Enzymatic hydrolysis lignin dissolution and low-temperature solvolysis in ethylene glycol

The dissolution and solvolysis processes of enzymatic hydrolysis lignin (EHL) in ethylene glycol are investigated. Ethylene glycol exhibits high EHL solubility and achieves complete EHL dissolution at room temperature. Gaussian simulation reveals that van de Waals interactions between ethylene glycol and EHL, including C-HMIDLINE HORIZONTAL ELLIPSISO and lone pairMIDLINE HORIZONTAL ELLIPSIS pi interactions, break the pi-pi stacking in EHL, achieving complete EHL dissolution. EHL is partly depolymerized in ethylene glycol at 200 degrees C even without a catalyst due to the strong van de Waals interactions. When NaOH and Ni are used as co-catalysts, EHL is efficiently depolymerized at 200 degrees C, and the overall monomer yield reaches 18.8 wt%. Fourier transform infrared spectroscopy (FT-IR) and molecular dynamics simulation results indicate that the adsorption of ethylene glycol over Ni surface hinders the adsorption of lignin fragments and monomers. Hence, EHL catalytic solvolysis in ethylene glycol occurs in the liquid phase, where OH- of NaOH promotes the EHL linkage breakage and active hydrogen atoms formed on Ni surface stabilize the active monomers.

Automated summary

The dissolution and solvolysis processes of enzymatic hydrolysis lignin (EHL) in ethylene glycol were investigated. Ethylene glycol exhibited high EHL solubility and achieved complete EHL dissolution at room temperature. The interactions between ethylene glycol and EHL, such as van de Waals interactions, were found to break the pi-pi stacking in EHL, resulting in complete EHL dissolution. When NaOH and Ni were used as co-catalysts, EHL was efficiently depolymerized at 200 degrees C, and the overall monomer yield reached 18.8 wt%. Fourier transform infrared spectroscopy (FT-IR) and molecular dynamics simulation results showed that the adsorption of ethylene glycol over Ni surface hindered the adsorption of lignin fragments and monomers. Thus, EHL catalytic solvolysis in ethylene glycol occurred in the liquid phase, where OH- of NaOH promoted the EHL linkage breakage and active hydrogen atoms formed on Ni surface stabilized the active monomers.