基团贡献法预测含极性基团离子液体对气体的溶解选择性  

Determination of gas selectivity of solution in RTILs with polar group by group contribution method

作　　者：伍艳辉[1] 于世昆[1] 段永超[1] 李佟茗[1] 

机构地区：[1]同济大学化学系,上海200092

出　　处：《化工学报》2011年第10期2684-2690,共7页CIESC Journal

基　　金：上海市自然科学基金项目(10ZR1432000);光华同济土木学院基金项目~~

摘　　要：室温离子液体是一种'绿色溶剂',具有独特的气体溶解选择性。基于正规溶液理论,根据文献发表的常规咪唑盐离子液体对不同气体的溶解度数据,结合基团贡献法预测了常压下CO2、CH4、N2、CO在含氰基、醚键等极性基团的咪唑盐离子液体中的亨利系数,进而得到不同气体在该类离子液体中的溶解选择性。结果表明,极性基团的引入有助于提高咪唑盐类离子液体对CO2的溶解选择性,与文献中实验数据规律一致。Abstract. Room temperature ionic liquid （RTIL）, known as a kind of ＂green solvent＂, has preferential solubility for some specific gases. Recent studies showed that high separation performance of CO2 could be obtained by using imidazolium-based ionic liquid. Based on regular solution theory and the solubility data of different gases in imidazolium-RTIL available in literature, a group contribution method was used to predict the solubility of CO2, CH4, N2, CO and corresponding solubility selectivity under ambient pressure in imidazolium-based task-specific ionic liquids （TSILs） with functional group such as nitrile or ether linkage. The results showed that the introduction of polar group in IL was helpful to improve its solubility selectivity of CO2, which agreed well with published experimental data. Although the Henry, s constant of carbon dioxide in RTILs decreased to some extent caused by the introduction of some polar groups, the ideal solubility selectivity of CO2/N2, CO2/CH4 and CO2/CO were greatly improved. It might be caused by the interaction between the introduced polar group and CO2.

关 键 词：离子液体 溶解 极性基团 基团贡献法 

分 类 号：TQ013.1[化学工程]