固体酸催化木质纤维素类生物质水解制备平台化合物的基础研究

催化水解制备高值平台化合物是木质纤维素类生物质资源的一项重要利用技术。本项目以可回收利用、水解反应条件温和、环境友好的固体酸为催化剂，以高选择性制备5-羟甲基糠醛（5-HMF）、糠醛（FF）、乙酰丙酸（LA）等高值平台化合物为目标，对比分析半纤维素和纤维素糖单元与生物质物料反应特性差别，利用实验研究和密度泛函理论计算相结合对反应过程进行分析，明确催化水解生成5-HMF、FF及LA的反应路径，分析反应体系中的质量传递规律，揭示催化剂、反应溶剂、反应条件与产物选择性和收率间的关联机制，阐述固体酸催化剂制备改性机制及构效关系，解析生物质原料主要成分间的作用机制，确定影响目标产物选择性和收率的关键反应步骤，掌握催化水解反应过程的调控机制，为建立催化木质纤维素类生物质水解制备5-HMF、FF及LA等高值平台化合物的技术方法提供理论基础。

Catalytic hydrolysis is an important technique to convert lignocellulosic biomass into valuable platform compounds. This project focuses on producing certain value-added platform compounds, i.e., 5-hydroxymethyl furfural (5-HMF), furfural (FF) and levulic acid (LA), by solid acid catalyst which is recyclable, environment-friendly and operated in mild reaction condition. The reacting differences between the biomass and sugar units of cellulose and hemicellulose will be revealed. Experimental studies and density functional theory calculations will be performed in this project to determine the formation pathways of the 5-HMF, FF and LA , to analyze the mass transfer law in the reaction system, as well as to reveal the correlative mechanism among the catalyst, solvent, reaction condition and product selectivity and yield. Research will also be conducted to reveal the modification and structure-activity relationship of the solid acid catalyst, to elucidate the interaction mechanism among the biomass primary components, to determine the key steps affecting the selectivity and yield of the target products, and finally, obtaining the control mechanism of the catalytic hydrolysis process. Within this project, it is able to provide theoretical basis for developing hydrolysis techniques of converting lignocellulosic biomass into 5-HMF, FF and LA and other valuable platform compounds.