Viscosity Calculations for Ionic Liquid−Cosolvent Mixtures Based on Eyring’s Absolute Rate Theory and Activity Coefficient Models
Viscosity Calculations for Ionic Liquid−Cosolvent Mixtures Based on Eyring’s Absolute Rate Theory and Activity Coefficient Models
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DOI：
10.1021/je100487m
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发表时间：
2010-07
影响因子：
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通讯作者：
Yangguang Wang;Dongyuan Chen;Xiao–kun Ouyang
中科院分区：
文献类型：
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作者：
Yangguang Wang;Dongyuan Chen;Xiao–kun Ouyang
含离子液体（IL）的非水混合物的输运性质的建模，如粘度，仍处于起步阶段。本工作的目的是评估粘度模型的能力，是基于Eyring的绝对速率理论和活度系数模型的非水混合物含有离子液体。将Eyring-NRTL（非随机双液）和Eyring-UNIQUAC（通用准化学活度系数）方程推广到含共溶剂混合物的离子液体模型。并对结果进行了比较和讨论。对于具有较大非理想性的系统，Eyring-NRTL方程需要三个可调参数才能给出满意的结果，而双参数Eyring-UNIQUAC模型则可以给出完全满意的结果。当实验数据有限时，较少的可调参数将是有益的。通过适当的假设，将Eyring-UNIQUAC方程进一步简化为只有一个可调参数。
The modeling of transport properties of nonaqueous mixtures containing ionic liquids (ILs), such as viscosities, is still in its infancy. The aim of this work is to evaluate the capability of viscosity models that are based on Eyring’s absolute rate theory and activity coefficient models to nonaqueous mixtures containing ILs. The Eyring-NRTL (nonrandom two-liquid) and Eyring-UNIQUAC (universal quasichemical activity coefficient) equations were extended to modeling ILs with cosolvent mixtures. The results were compared and discussed. For systems with large nonideality the Eyring-NRTL equation needs three adjustable parameters to give satisfactory results, while the two-parameter Eyring-UNIQUAC model could give completely satisfactory results for these systems. Less adjustable parameters will be beneficial when limited experimental data are available. So, the Eyring-UNIQUAC equation was further simplified to have only one adjustable parameter by suitable assumptions.