CAJ | 학술논문

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][BF4]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。
이수，1,4이양륙배，병동，정기완，1-신순，배기완，분이급리자액체적σprofile계산결과위기출，채용COSMO-SAC모형대각충량상계통적활도계수진행계산，이예측상평형。예측료배기완、분、대이갑분、간이갑분화린이갑분재리자액체1-을기-3-갑기미서사불붕산염[Emim][BF4]화1-정기-3-갑기미서이청알염[Bmim][(CN)2N]중적무한희석활도계수，위선택합괄리자액체분리지방경/방향경혼합체계，대이갑분/간이갑분혼합물，대이갑분/린이갑분혼합물제공의거。
Based on the results of theσprofile of water, 1,4-dioxane, acetone, hexane, 1-octanol, cyclohexane, benzene and the ionic liquid, the activity coefficient of two-phase system of solutes and ILs were calculated using the COSMO-SAC model to predict the equilibrium. The activity coefficients at infinite dilution of cyclohexane, benzene, xylene, m-xylene and o-xylene in the ionic liquid were calculated;provide the basis for the selection of ionic liquid on separation of aliphatic / aromatic hydrocarbon mixtures, p-xylene / m-xylene mixture, p-xylene /o-xylene mixture.