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本文基于酶催化的纤维素降解机理,提出了酸性咪唑离子液体催化纤维素糖苷键水解的理论模型,计算了[C_4SO_3Hmim]HSO_4、[C_4SO_3Hmim]H_2PO_4、[C_4SO_3Hmim]Cl、[C_4SO_3-Hmim]Br和[C_4COOHmim]Cl 5种咪唑离子液体催化糖苷键水解的分子机理和反应的热力学、动力学性质,分析了不同酸性基团和阴离子种类对反应的影响.研究结果为筛选有效降解纤维素的功能性离子液体提供了一定的理论指导.
Based on the mechanism of enzyme-catalyzed cellulose degradation, a theoretical model for the hydrolysis of cellulose glycosidic bond catalyzed by acidic imidazolium ionic liquid was proposed. The effects of [C_4SO_3Hmim] HSO_4, [C_4SO_3Hmim] H_2PO_4, [C_4SO_3Hmim] Cl, [C_4SO_3-Hmim] Br and [C_4COOHmim] Cl The five kinds of imidazolium ionic liquids catalyze the molecular mechanism of the hydrolysis of glycosidic bond and the thermodynamic and kinetic properties of the reaction, and analyze the effects of different acidic groups and anionic species on the reaction.These results were used to screen the functionalities of effectively degrading cellulose Ionic liquids provide some theoretical guidance.