离子液体+正己烷+异丙醇液液相平衡数据的测定及关联  

Measurement and correlation of liquid-liquid phase equilibrium data for ionic liquid+isopropanol+n-hexane ternary system

作　　者：于晓环 李雨霖 凌盈 张志刚 张亲亲 辛华 YU Xiaohuan;LI Yulin;LING Ying;ZHANG Zhigang;ZHANG Qinqin;XIN Hua(Liaoning Key Laboratory of Chemical Separation Technology,School of Chemical Engineering,Shenyang University of Chemical Technology,Shenyang 110142,China)

机构地区：[1]沈阳化工大学化学工程学院、辽宁省化工分离技术重点实验室,辽宁沈阳110142

出　　处：《石油化工》2024年第6期826-831,共6页Petrochemical Technology

基　　金：国家自然科学基金项目(21978173);辽宁省自然科学基金项目(2021-NLTS-12-05);沈阳化工大学优秀青年基金项目(2019YQ002)。

摘　　要：通过COSMO-RS模型筛选出1-乙基-3-甲基咪唑三氟乙酸盐([EMIM][TFA])、1-乙基-3-甲基咪唑二氰胺盐([EMIM][DCA])、1-乙基-3-甲基咪唑磷酸二乙酯([EMIM][DEP])三种离子液体作为萃取剂分离正己烷-异丙醇体系。在303.15 K、101.3 kPa下,测定正己烷+异丙醇+[EMIM][DCA]/[EMIM][TFA]/[EMIM][DEP]的三元液液相平衡实验数据,通过计算得出选择性与分配系数,分析离子液体各自的分离性能。通过Othmer-Tobias,Bachman,Hand方程对实验数据进行一致性检验。采用Aspen Plus v11流程模拟软件中NRTL模型进行数据关联拟合,获得均方根偏差(RMSD)和二元交互作用参数。模拟结果表明,选择性与分配系数均大于1,说明三种离子液体均可作为萃取剂;方程的回归系数均大于0.95,说明实验数据可靠;得到RMSD均小于3%,说明模拟计算数据能较好地关联实验数据。Three ionic liquids,1-ethyl-3-methylimidazolium trifluoroacetate([EMIM][TFA]),1-ethyl-3-methylimidazolium dicyanamide([EMIM][DCA]),and 1-ethyl-3-methylimidazolium diethylphosphate([EMIM][DEP])were filtered as extractants for separating the azeotropic mixture of n-hexane and isopropanol by COSMO-RS model.The ternary liquid-liquid phase equilibrium data of n-hexane+isopropanol+[EMIM][DCA]/[EMIM][TFA]/[EMIM][DCA]were measured at 303.15 K and 101.3 kPa.According to the experimental data,the distribution coefficient and selectivity were subsequently calculated to analyze the separation performance of the ionic liquids.To further check the consistency and reliability,experimental data were fitted through the Othmer-Tobias,Bachman,and Hand equations.The liquid-liquid phase experimental data were correlated and fitted through the NRTL activity coefficient model in Aspen Plus v11,and the root-mean-square deviation(RMSD)and binary interaction parameters were obtained.The simulation results show that the distribution coefficient and selectivity of three ionic liquids are greater than 1,indicating that the screened systems are suitable extractants.The equation regression coefficients are all greater than 0.95,proving that the experimental data are reliable.All resulting RMSD are less than 3%,implying that the simulated computational data can be better correlated with the experimental data.

关 键 词：离子液体 液液相平衡 正己烷 异丙醇 NRTL模型 

分 类 号：TQ028[化学工程]