Ionic liquids have received increasing attention for their potential uses as non-wolatile separation and reaction solvents, and the liquid-liquid equilibrium(LLE)of ionic liquid containing systems is of great import...Ionic liquids have received increasing attention for their potential uses as non-wolatile separation and reaction solvents, and the liquid-liquid equilibrium(LLE)of ionic liquid containing systems is of great importance for such practical applications.The NRTL(non-random two liquid)equation was extended and used in this paper for the calculation of the LLE data of some ionic liquid-alcohol binary systems.It was found that the extended NRTL model could be accurately used to represent the LLE of these ionic liquid-alcohol systems with the average absolute deviations lower than 0.6%.The LLE data of two ternary systems, H2O-n-butanol-[bmim]PF6 and H2O-n-butanol-[omim]PF6, were further successfully predicted for the first time by using the NRTL binary parameters.展开更多
The non-random two liquids (NRTL) equation together with the Pitzer/Curl Virial equation of state are used to investigate the simultaneous representation of excess enthalpies (h^E) and vapour-liquid equilibria (...The non-random two liquids (NRTL) equation together with the Pitzer/Curl Virial equation of state are used to investigate the simultaneous representation of excess enthalpies (h^E) and vapour-liquid equilibria (VLE) and the VLE prediction from h^E data. The calculation strategy for properly determining NRTL parameters and the effect of their temperature dependence on the simultaneous correlation of h^E and VLE data and the VLE extrapolation are analysed in detail.展开更多
NRTL equation is one of the equations that widely used in chemical engineering thermodynamics. The marked advantage of the NRTL equation is that it can be used for predicting the thermodynamicsproperties of multicompo...NRTL equation is one of the equations that widely used in chemical engineering thermodynamics. The marked advantage of the NRTL equation is that it can be used for predicting the thermodynamicsproperties of multicomponent systems only with the data of binary systems. However the application of it to molten alloys and the other melts in metallungy has been mrsly reported. In this article, it was used to correlate thermodynamics data of binary molten alloys which are included in the systems-Cd-Bi-Sn, Cd-Bi-Pb, Cd-Sn-Pb. The data of those ternary systems were predicted by NRTL equation. The activities of Cd in quaternary system Cd-Bi-Pb-Sn were also calculated.展开更多
文摘Ionic liquids have received increasing attention for their potential uses as non-wolatile separation and reaction solvents, and the liquid-liquid equilibrium(LLE)of ionic liquid containing systems is of great importance for such practical applications.The NRTL(non-random two liquid)equation was extended and used in this paper for the calculation of the LLE data of some ionic liquid-alcohol binary systems.It was found that the extended NRTL model could be accurately used to represent the LLE of these ionic liquid-alcohol systems with the average absolute deviations lower than 0.6%.The LLE data of two ternary systems, H2O-n-butanol-[bmim]PF6 and H2O-n-butanol-[omim]PF6, were further successfully predicted for the first time by using the NRTL binary parameters.
基金Supported by Deutsche Forschungsgemeinschaft(DFG) (LE 886/4-1)
文摘The non-random two liquids (NRTL) equation together with the Pitzer/Curl Virial equation of state are used to investigate the simultaneous representation of excess enthalpies (h^E) and vapour-liquid equilibria (VLE) and the VLE prediction from h^E data. The calculation strategy for properly determining NRTL parameters and the effect of their temperature dependence on the simultaneous correlation of h^E and VLE data and the VLE extrapolation are analysed in detail.
文摘通过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。
文摘NRTL equation is one of the equations that widely used in chemical engineering thermodynamics. The marked advantage of the NRTL equation is that it can be used for predicting the thermodynamicsproperties of multicomponent systems only with the data of binary systems. However the application of it to molten alloys and the other melts in metallungy has been mrsly reported. In this article, it was used to correlate thermodynamics data of binary molten alloys which are included in the systems-Cd-Bi-Sn, Cd-Bi-Pb, Cd-Sn-Pb. The data of those ternary systems were predicted by NRTL equation. The activities of Cd in quaternary system Cd-Bi-Pb-Sn were also calculated.