论文部分内容阅读
以水,1,4二氧六环,丙酮,正己烷,1-辛醇,环己烷,苯以及离子液体的σprofile计算结果为基础,采用COSMO-SAC模型对各种两相系统的活度系数进行计算,以预测相平衡。预测了环己烷、苯、对二甲苯、间二甲苯和邻二甲苯在离子液体1-乙基-3-甲基咪唑四氟硼酸盐[Emim][BF_4]和1-丁基-3-甲基咪唑二氰胺盐[Bmim][(CN)_2N]中的无限稀释活度系数,为选择合适离子液体分离脂肪烃/芳香烃混合体系,对二甲苯/间二甲苯混合物,对二甲苯/邻二甲苯混合物提供依据。
Based on the σprofile results of water, 1,4-dioxane, acetone, n-hexane, 1-octanol, cyclohexane, benzene and ionic liquids, the COSMO-SAC model was used to measure the activity of various two- Coefficients are calculated to predict phase equilibrium. In the ionic liquid 1-ethyl-3-methylimidazolium tetrafluoroborate [Emim] [BF 4] and 1-butyl-3 - methylimidazolium dicyanamide salt [Bmim] [(CN) _2N] in the infinite dilution activity coefficient for the selection of an appropriate ionic liquid separation of aliphatic / aromatic hydrocarbon mixture, p-xylene / m-xylene mixture, Toluene / o-xylene mixture provided the basis.