离子液体催化降解PET聚酯的基础研究

项目名称： 离子液体催化降解PET聚酯的基础研究

项目编号： No.21276255

项目类型： 面上项目

立项/批准年度： 2013

项目学科： 化学工业

项目作者： 姚晓倩

作者单位： 中国科学院过程工程研究所

项目金额： 80万元

中文摘要： PET聚酯的循环利用可在环境保护及节约资源等方面产生巨大的社会和经济效益。采用离子液体做为绿色溶剂和催化剂来降解PET聚酯、发展新型PET聚酯循环利用过程具有重要的应用价值和理论意义。目前对离子液体降解PET聚酯反应本质和机理缺乏深入的研究，成为其大规模实际应用的瓶颈问题。本项目拟采用量子化学、分子动力学等计算模拟方法和波谱分析等多种实验检测手段，对离子液体降解PET聚酯反应过程进行深入研究：建立离子液体结构与PET聚酯降解催化性能之间的定量关系，提出离子液体催化剂/溶剂分子设计方法；获得离子液体阴离子、阳离子和PET聚酯相互作用本质及其对反应的影响规律；揭示PET聚酯催化降解反应机理，对不同反应详细途径、能量过程及反应动力学进行阐明，为开发高效的离子液体催化剂和建立PET聚酯降解反应新工艺提供科学基础。

中文关键词： 离子液体；PET；降解；构效关系；机理

英文摘要： PET recycling will bring enormous social and economic profits especially in environmental protection and resource conservation. It is with important application value and theoretical significance that ionic liquid were used as green solvents and catalysts in degradation of PET. At the present time, absence of in-depth investigation on the reaction mechanism of ionic liquid degradation of PET become to a bottleneck problem in scale application. This project will research deeply the reaction process for degradation of PET by quantum chemistry, molecular dynamics simulation method and spectral analysis of multiple experimental detection methods. The quantitative relationship between ionic liquid structure and the catalytic performance of ionic liquid will be established. This project also will propose ionic liquid catalyst / solvent molecular design methods, obtain the interaction law between the ionic liquid and PET, reveal the reaction mechanism of catalytic degradation of PET. All of these researches provide scientific basis for the development of efficient ionic liquid catalyst and the establishment of PET degradation process.

英文关键词： ionic liquids；PET polyester；degradation；structure-property relationship；mechanism