Liquid−Liquid Equilibria of Room-Temperature Ionic Liquids and Butan-1-ol†
Liquid−Liquid Equilibria of Room-Temperature Ionic Liquids and Butan-1-ol†
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DOI：
10.1021/je0340093
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发表时间：
2003-03
影响因子：
--
通讯作者：
C.-T. Wu;K. Marsh;A. Deev;J. Boxall
中科院分区：
文献类型：
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作者：
C.-T. Wu;K. Marsh;A. Deev;J. Boxall
室温离子液体是在室温下为液体的盐。它们作为催化剂和催化载体的用途已被广泛研究。然而，它们在常用有机溶剂中的溶解度和相平衡的测定却很少。在这项工作中，室温离子液体，1-烷基-3-甲基咪唑六氟磷酸盐，[Rnmim][PF 6]（1），其中Rn =丁基，戊基，己基，庚基和辛基，与1-丁醇（2）的混合物的液-液相平衡在一个组成范围内已被测量。发现混合物的双结点共存曲线在x2 = 0.9处具有上临界溶解温度（USCT）。随着烷基链长的增加，离子液体的UCST降低，丁基的UCST在373 K，辛基的UCST在326 K。UCST和在UCST作为1-烷基链长的函数的组合物可以合理地从单分子量子化学计算的基础上的理论预测。
Room-temperature ionic liquids are salts that are liquid at room temperature. Their use as catalysts and catalytic support has been studied extensively. However, there are very few measurements on their solubility and phase equilibria in common organic solvents. In this work, the liquid−liquid phase equilibria of mixtures of room-temperature ionic liquids, 1-alkyl-3-methylimidazolium hexafluorophosphate, [Rnmim][PF6] (1) where Rn = butyl, pentyl, hexyl, heptyl, and octyl, with butan-1-ol (2) over a composition range have been measured. The binodal coexistence curves of the mixtures were found to have an upper critical solution temperature (USCT) at x2 ≈ 0.9. The UCST decreases with increase in the length of the alkyl chain of the ionic liquid, with the UCST of the butyl at 373 K and that of the octyl at 326 K. Both the UCST and the composition at the UCST as a function of the 1-alkyl group chain length can be reasonably well predicted from theory on the basis of unimolecular quantum chemical calculations.