互穿网络型离子液体修饰的高孔容金属-有机框架材料的构筑及捕集CO2机理研究

项目名称： 互穿网络型离子液体修饰的高孔容金属-有机框架材料的构筑及捕集CO2机理研究

项目编号： No.21476110

项目类型： 面上项目

立项/批准年度： 2015

项目学科： 有机化学

项目作者： 管国锋

作者单位： 南京工业大学

项目金额： 90万元

中文摘要： 材料科学的发展趋势是材料的微观结构和宏观性能的统一。本项目以构筑离子液体修饰的金属-有机框架（MOFs）具有微-纳-宏结构的功能材料为导向，以量子化学分子模拟方法设计出对CO2具有高吸收能力的互穿网络型离子液体单体，继而研究在氢键作用下互穿网络离子液体有序组装规律。采用互穿网络型离子液体对MOFs材料进行化学修饰，制备有序宏观孔结构与微观网络结构所形成的多维度的MOFs材料，借助现代表征手段揭示离子液体修饰的MOFs材料的微观结构，考察离子液体对MOFs材料比表面积的增强效应。研究互穿网络型离子液体修饰的MOFs材料对CO2的Lewis酸碱络合吸附机理，探索多维度的MOFs的多相结构效应、离子液体的互穿网络交联结构以及两者的协同作用对CO2捕集性能的规律，实现新型功能材料对CO2的高效捕集，为先进的无机-有机杂化吸附材料发展提供一条实用化途径。

中文关键词： 互穿网络型离子液体；金属-有机框架材料；高孔容；CO2捕集；吸附机理

英文摘要： The development trends of materials science are the combination of microstructure and macroscopic properties. The project aims at the preparation of ionic liquids modified metal-organic frameworks(MOFs) with micro-meso-macro structure. Quantum chemical molecular simulation method is used to design interpenetrating network ionic liquids monomer with high absorption capacity for CO2. Then, the ordered assemble of interpenetrating network ionic liquids with hydrogen-bonding interaction is studied.The MOFs materials will be chemically modified by interpenetrating network ionic liquids to synthesize multi-dimensional MOFs with ordered macro-pore structure and micro-network structure. The microstructures of the ionic liquids modified MOFs materials will be revealed by modern analysis and characterization, and the specific surface area enhancement of MOFs materials by ionic liquids will be investigated. To realize high efficient capture of CO2 using this novle material, the Lewis acid-base complexation mechanism of CO2 adsorption by interpenetrating network ionic liquid modified MOFs will be studied. The polyphase structural effect of multi-dimensional MOFs, the crosslinking interpenetrating-network structure of ionic liquids and their synergetic interactions for the CO2 capture performance will also be investigated. The project will provide a practical route for the development of advanced organic-inorganic hybrid adsorption materials.

英文关键词： interpenetrating-network ionic liquid;metal-organic frameworks;high pore volume;CO2 capture;adsorption mechanism