(372t) Porous Ionic Liquids: Theoretical and Experimental Research

Recently, based on the research of porous liquid materials, a new kind of porous ionic liquid has been reported [1]. The material combines the characteristics of ionic liquids with the advantages of porous materials, and has good performance in gas absorption and separation. In addition, we can see that the porous ionic liquid has the advantages of high specific surface area, excellent adsorption performance, high selectivity and high extraction activity, thermal stability of ionic liquid. Therefore, it has a good application prospect in the field of fuel desulfurization. This subject is divided into two aspects:

Firstly, the mechanism of absorption of CO₂, SO₂ and other molecules by silica-based porous ionic liquids is studied by using density functional theory (DFT) (Fig. 1a) [2]. It is found that the most active sites of the silica-based porous ionic liquid for absorption are hydrogen bonding, and the most active sites are around the polyethylene glycol unit. For SO₂ absorption, hydrogen bond and π-hole bonding are predicted by theoretical calculation (Fig. 1b). The strongest active sites are located at the interface between silica sphere and outer crown [3]. Secondly, a quaternary ammonium based porous ionic liquid was synthesized. The results of the test of the desulfurization performance of fuel extraction show that the desulfurization rate of the porous ionic liquid is larger than the sum of the desulfurization ratio of hollow silica ball and ionic liquid (45.7 SR%), indicating that the structure of the two parts has synergistic effect [4].