醚基功能化离子液体的设计合成及其对SO2的吸收机理研究

The novel feature of sturcture tuning of ionic liquid (IL) is the possibility to develop the functionalized ionic IL with special properties for SO2 aborption and separation. The introduction of functional group, which have strong electrostatic interaction with SO2, to cation of IL and adjustment of the amount and structure of functional groups can increase the absorption ability of SO2, thus realizing the control of SO2 absorption and deabsorption. Up to now, the reports on the physical absorption of SO2 using functionalized IL are very few. Our previous work shows that the introduction of ether-functional group to the cation of functional ILs can greatly improve their physical absorption ability of SO2. In this work, we aim to design a series of ether-functionalized imdazolium-based ILs and then measure their SO2 absorption properties variation with ether chain length in cation. The absorption and desorption mechanism of ILs for SO2 will be investigated. The intrinsic relationship between the structure of cation and anion of ether-functionalized IL and desulfurization performance will be revealed from molecular level on the basis of experimental results analysis and further computer simulation. The regular pattern of ether-based cation and anion of ionic liquid will be revealed. And this research will provide theoretical guidance for the design and application of this kind of material.

利用离子液体结构可调的特点,开发对SO2有特异作用的功能化离子液体为SO2吸收与分离提供了新的研究方向。在离子液体阳离子上引入能够与SO2产生强烈的静电作用的官能团，并通过调控官能团的结构和数量来增大离子液体对SO2的物理吸收量，有效地实现吸收和解析过程的可控。目前，功能化离子液体物理吸收SO2的研究还鲜见报道。我们前期工作证明：在咪唑阳离子上引入"醚基官能团"能够大幅度增强离子液体对SO2的物理吸收能力。本项目拟设计合成系列含有醚链结构的咪唑类功能化离子液体，测试其对SO2的吸收能力随醚链长的变化规律，并对其吸收和解析机理进行探讨。在对实验结果进行分析的基础上，进一步通过计算机模拟研究，从分子水平揭示醚基咪唑功能化离子液体阴阳离子结构与脱硫性能之间的内在关系，探明醚基阳离子与阴离子对脱硫性能影响的一般规律，为这类材料的设计和利用提供理论指导。

利用离子液体结构可调的特点，开发对SO2有特异作用的功能化离子液体为SO2吸收与分离提供了新的研究方向。在离子液体阳离子上引入能够与SO2产生强烈的静电作用的官能团，并通过调控官能团的结构和数量来增大离子液体对SO2的物理吸收量，有效地实现吸收和解析过程的可控。目前，功能化离子液体物理吸收SO2的研究还鲜见报道。我们的工作证明：在咪唑阳离子上引入“醚基官能团”能够大幅度增强离子液体对SO2的物理吸收能力。本项目设计合成系列含有醚链结构的咪唑类功能化离子液体，测试其对SO2的吸收能力随醚链长的变化规律，并对其吸收和解析机理进行探讨。在对实验结果进行分析的基础上，进一步通过计算机模拟研究，从分子水平揭示醚基咪唑功能化离子液体阴阳离子结构与脱硫性能之间的内在关系，探明醚基阳离子与阴离子对脱硫性能影响的一般规律。本项目还开展了醚基功能化离子液体负载到多孔硅胶的相关工作，并研究了其对SO2的吸附性能，为这类材料的设计和利用提供理论指导。