基于Wilson、UNIQUAC和NRTL活度系数模型的离子液体体系的相平衡比较  

Comparison of Wilson,UNIQUAC and NRTL activity coefficient models for the phase equilibria of systems containing ionic liquids

作　　者：王皓[1] 陆康[1] 彭璇[1] 

机构地区：[1]北京化工大学信息科学与技术学院,北京100029

出　　处：《北京化工大学学报（自然科学版）》2013年第1期10-15,共6页Journal of Beijing University of Chemical Technology(Natural Science Edition)

摘　　要：对Wilson、通用似化学(UNIQUAC)和非随机双液(NRTL)3种活度系数模型在离子液体体系中的相平衡应用进行了系统的比较。考察了酮类、烃类、酯类、醇类、醚类和水6类溶质与离子液体组成的二元体系,对3种活度系数模型进行了参数回归,得到了二元交互作用参数。以拟合较好的丙酮/甲醇二元体系为例,预测了丙酮/甲醇/[EMIM][triflate]三元体系的温度-组成,并与实验进行了比较。结果表明,无论在回归或是在预测中,NRTL活度系数模型均能取得满意的效果;而Wilson和UNIQUAC模型依赖于特定的体系组成,回归效果不太稳定,并且对三元体系的预测能力也有不足。Wilson, UNIQUAC and NRTL activity coefficient models of the phase equilibria of ionic liquid systems have been systematically compared. Binary systems composed of different ionic liquids and six types of solute--ke- tones, hydrocarbons, alcohols, esters, ethers and water--were investigated and regressed to obtain the interaction parameters for the three models. By choosing the acetone/methanol mixture, which gives a good fit in binary sys- tems, we predicted the temperature dependence on composition for the acetone/methanol/1-ethyl-3-methyl imidazo- lium trifluoromethanesulfonate （ [ EMIM ] [ triflate ] ） ternary system, and compared the results with the available ex- perimental data. Our results show that the regression and prediction are all satisfactory for the NRTL model. How- ever, since they depend on the specific system, the Wilson and UNIQUAC models are too unstable to give a good regression. Furthermore, both of them lack sufficient predictive capability in ternary systems.

关 键 词：离子液体 相平衡 活度系数模型 Wilson模型 通用似化学模型 非随机双液模型 

分 类 号：TQ013[化学工程]