功能化离子液体高效捕集NO的研究

Ionic liquids provide a new chance for developing an efficient absorbent for the capture of NO because of their unique properties. This Project designed and prepared several kinds of functionalized ionic liquids with different anion, which were used for the capture of NO. NO absorption capacity and absorption residue were tuned through changing the structure of these functionalized ionic liquids such as the basicity. Rapid absorption rate was achieved through eliminating the hydrogen bond network in the system of the ionic liquid. Through a combination of absorption experiment, quantum chemical calculation, and spectroscopic investigation, the mechanism of the interaction between the anion and NO was investigated. The effect of the basicity, and carbon number on NO absorption was investigated, and the relationship between the basicity and absorption capacity and desorption residue was set up. Furthermore, the effect of the structure on the viscosity during the capture of NO by these functionalized ionic liquids was investigated. On the basis of these results, several ionic liquids with high absorption capacity and low desorption residue was designed and applied in the capture of NO, where the recycling of the ionic liquid was investigated. This work is useful for the design of the new ionic liquid and its application in industry.

离子液体的独特性质为发展捕集NO的新方法提供了很好的机会。本项目主要设计合成不同种类的阴离子功能化离子液体，应用于NO的捕集中。通过离子液体阴离子的碱性、取代基等的结构变化，来调控NO的吸收容量和脱吸残留；通过离子液体体系氢键网络的消除，来实现NO的快速吸收。结合气液平衡实验、量子化学计算和谱学研究等多种手段，来研究功能化离子液体高效捕集NO的作用机制；考察碱性、推拉电子取代基、链长等因素对NO吸收性能的影响，建立功能化离子液体的碱性与NO吸收容量、脱吸残留之间的联系；并研究离子液体结构与吸收过程中离子液体粘度变化的关系；在此基础上，设计合成2-3种NO吸收容量较高、脱吸残留较低的功能化离子液体，进行吸收、脱吸和反复循环研究，实现NO的高效、可逆、快速捕集，从而为离子液体捕集NO 的分子设计和工业应用做出一些贡献。

本项目主要设计合成了不同种类的阴离子功能化离子液体，包括唑型、氨基酸型、羧酸型、聚唑硼酸型等，应用于NO的捕集中。通过离子液体阴离子的碱性、取代基等结构变化，调控了NO的吸收容量和脱吸残留；通过离子液体体系氢键网络的消除，实现了NO的快速吸收。结合气体吸收实验、量子化学计算和谱学研究等多种手段，研究了功能化离子液体高效捕集NO的作用机制，表明碱性阴离子与NO耦合分子的酸碱作用是其吸收容量高的主要原因；考察了碱性、推拉电子取代基等因素对NO吸收性能的影响，建立了功能化离子液体的碱性与NO吸收容量、脱吸残留之间的联系，实现了NO的高效、可逆、快速捕集，为离子液体NO捕集的分子设计和资源化利用提供了新思路。发表相关论文12篇，其中AIChE J. 2篇，Sci. Adv. 1篇，Green Chem. 1篇，ACS Sustain. Chem. Eng. 4篇，获授权国家发明专利5项；培养博士毕业生7人，硕士毕业生3人，指导的博士生陈凯宏获浙江大学最高荣誉竺可桢奖学金。