农作物秸秆分子结构的化学解聚机制研究

项目名称： 农作物秸秆分子结构的化学解聚机制研究

项目编号： No.21266023

项目类型： 地区科学基金项目

立项/批准年度： 2013

项目学科： 化学工业

项目作者： 马玉龙

作者单位： 宁夏大学

项目金额： 52万元

中文摘要： 随着全球变暖及化石燃料的枯竭,许多国家都非常重视生物质能源尤其秸秆能源的开发与应用研究。然而，由于缺乏对秸秆结构解聚机制科学问题的深层次认识，极大地限制了高效解聚秸秆方法的研究步伐，而后者是实现秸秆高附加值转化的先决条件。本课题在前期研究基础上，以麦秸、稻秸和玉米秸三种典型农作物秸秆为研究对象，在分子水平上探讨秸秆化学结构及其构筑单元的键合方式，研究不同化学解聚条件下秸秆分子结构演变规律、特征及机制，解析解聚产物的结构特性及副产物的形成机制，推断秸秆在化学解聚过程中的断链模式，并引入计算化学研究手段，从微观上计算和模拟复杂环境与界面条件下秸秆与化学解聚剂相互作用的本质，从而提出农作物秸秆的化学解聚机制。然后通过对解聚后秸秆下游酶解和发酵效果的评价，反馈性探讨和阐明秸秆上游结构解聚与下游转化燃料乙醇的构效关系，为经济、环保、可操作性强的秸秆大分子解聚方案的设计与选择提供科学的理论和应用依据。

中文关键词： 农作物秸秆；分子结构；化学解聚；机制；

英文摘要： With the global climate warm and the depletion of fossil fuels, many countries pay much attention to the research on the development and utilization of biomass energy, especially highlighting straw energy. However, the pace of research on the efficient depolymerization of straw, which is a crucial prerequisite for achieving the high added-value conversion of straw polymer, is severely limited because of lack of deep understanding for scientific problem about depolymerization mechanism of straw structure. In this work, three typical crop straws, i.e. wheat straw, rice straw, and corn stalk, are used to study the chemical depolymerization mechanism of crop straw by investigating chemical structure and bonding styles of constituent units in straw in the molecular level, researching the changing mode, characteristic, and mechanism of straw structure under various conditions of chemical depolymerization, analyzing the structural characteristics of products and the formation mechanism of by-products in the depolymerization, ascertaining the breakage mode of bond existing in straw in the process of depolymerization, and calculating and simulating the interactional character between straw molecule and chemical depolymerization reagent under the complicated and interfacial conditions using the method of calculational che

英文关键词： Crop straw；Molecular structure；Chemical depolymerization；Mechanism；