基于精准孔道分区突破Trade-off效应实现金属-有机框架高效气体吸附分离性能研究

突破气体吸附分离过程Trade-off效应，即分离选择性和吸附容量难以兼具的矛盾，是高效气体吸附剂开发的关键科学问题；本项目提出“基于孔道分区突破Trade-off效应”的创新思路，立足于金属-有机框架孔道分区减小孔径尺寸和分区体增加孔壁界面的协同效应，最大限度提升孔域的利用效率而突破Trade-off效应；拟发展开放金属位点配位分区、框架电荷平衡体分区和超微孔次级构筑单元分区等三类精准孔道分区策略，协同提升金属-框架的稳定性，降低吸附剂的再生能耗；利用等温吸附容量、吸附焓、IAST分离比、固定化床穿透实验和GCMC理论模拟等手段，阐明孔道分区调控气体吸附分离性能的关键机制，建立基于孔道分区突破Trade-off效应的评价体系；本项目通过孔道分区突破Trade-off效应而实现金属-有机框架兼具高吸附容量和高分离选择性，有望为高效吸附剂材料的开发和常温吸附分离技术的发展提供独特的解决方案。

A key scientific issue for the development of efficient gas adsorbents is to break through the trade-off effect during the gas adsorption and separation process, that is the contradiction between the separation selectivity and the adsorption capacity. In this project, we proposed a promising pore space partition strategy to break through the trade-off effect. In this strategy, the sieve effect of small pore sizes generated by pore space partition in metal-organic frameworks will effectively improve gas separation selectivity. At the same time, the partition species inserted during the pore space partition process can further promote the adsorption capacity. Such a synergistic effect will help to achieve the effective utilization of whole pore space and thus break through the trade-off effect. Three new strategies for accurate pore space partition will be established, including open metal site coordination partitioning, framework charge-balanced species partitioning and ultramicroporous secondary building unit partitioning. The isothermal gas adsorption, IAST separation calculation, isothermal heat of adsorption, gas breakthrough in a fixed bed and GCMC theoretical simulation will be combined together to evaluate the effect of pore space partition strategy on the gas adsorption and separation performance. A general scheme to break through the trade-off effect of metal-organic frameworks will be established. Overall, this project aims to develop super metal-organic framework materials with high gas adsorption capacity as well as high gas separation selectivity by breaking through the trade-off effect via pore space partition. The progress of this proposal is expected to provide a unique solution for not only the exploration of efficient adsorbent materials but also the development of adsorption and separation technology at room temperature.