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

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。

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

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—ketones, 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 systems, we predicted the temperature dependence on composition for the acetone/methanol/1-ethyl-3-methyl imidazolium trifluoromethanesulfonate (［EMIM］［triflate］) ternary system, and compared the results with the available experimental data. Our results show that the regression and prediction are all satisfactory for the NRTL model. However, 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.