面向化工中大分子吸附分离的多级孔金属-有机骨架材料设计与合成研究

Adsorptive separation is an efficient method for the removal of large molecule pollutants in industrial waste water, and development of highly efficient adsorbents is the key technology for adsorption unit operations. Metal-organic frameworks (MOFs) is a kind of novel nano pore material, however, the micropore structure in MOFs restrict their applications in large molecule removal. Thus, it has great theoretical value and practical significance to develop the hierarchical pore MOFs with mesopore structure. The main research contents in this proposal are: building the structure-property relationships for large molecule adsorption and separation in hierarchical pore MOFs by a combined computational and experimental study; furthermore, development of the novel strategy for the synthesis of the hierarchical pore MOF material and methods to tune their structure as well as performance; providing a series of the hierarchical pore MOFs with practical and promising prospect. This proposal will hopefully promote the applications of hierarchical pore MOFs in the field of chemical separation as well as the design and synthesis of chemical material based on material genomics.

工业废水中大分子污染物脱除的一个有效方法为吸附分离，其技术关键为高效吸附剂的开发。金属-有机骨架材料(MOFs)是一类新型纳米多孔材料，但其微孔的结构特征，阻碍了其在大分子脱除方面的应用。因此，开发含有介孔的多级孔MOFs具有重要的学科与现实意义。本项目将采用计算与实验相结合的研究方法，建立多级孔MOFs的大分子吸附分离性能的构效关系，开发多级孔MOFs的制备与性能调控方法，提供系列具有实际应用潜力的新型多级孔MOF材料。本项目有望促进MOFs在化工分离领域的应用及基于材料基因组学的化工新材料的设计与合成。

本项目以金属-有机骨架材料(MOFs)为主体，以环境污染物分子的吸附分离为目标，开展新材料的设计与开发研究，以骨架材料孔尺寸、吸附位点精准设计，以及主客体相互作用的微观本质为出发点，系统研究了包括水溶液中药物分子、染料分子、以及重金属离子等有害物质的吸附分离，联合理论计算，探究吸附机理，总结规律，并在此基础上进行系统的材料设计，实验合成开发出多种高性能MOF吸附剂材料，这对促进多级孔MOF材料的基础研究以及在化工领域中的应用提供了新材料和新技术的储备。项目按照原计划顺利进行，完成了预定目标，共发表SCI论文28篇，包括10篇一区论文；申请专利3项（其中3项已获得授权）,并于2018年获得了中国石化联合会科技进步一等奖。