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Simultaneous representation of thermodynamic properties and viscosities of ILs/DESs+co-solvent systems by Eyring-NRTL model
Fluid Phase Equilibria ( IF 2.8 ) Pub Date : 2021-07-16 , DOI: 10.1016/j.fluid.2021.113176
Zhida Zuo 1 , Yunhao Sun 1, 2 , Xiaohua Lu 1 , Xiaoyan Ji 2
Affiliation  

In this work, the nonrandom two-liquid model (NRTL) was coupled with the Eyring's absolute rate theory (the Eyring-NRTL model), to study thermodynamic properties and viscosities simultaneously with one set of parameters, and ten non-aqueous mixtures containing ionic liquids (ILs)/deep eutectic solvents (DESs) were chosen in the study as the first step. In model parameterizing, three strategies were investigated, which were viscosity as the input only, enthalpy with/without vapor pressure as the inputs, and enthalpy and viscosity as inputs, respectively. The investigation shows that it is possible to represent thermodynamic and kinetic properties simultaneously. Furthermore, the viscosity can be predicted using the model with reasonable parameters determined from the excess enthalpy, and incorporating vapor pressures and limited viscosity data in parameterizing can further improve the model performance on the viscosity. For the first time, the thermodynamic model was coupled with the Eyring's theory to study the systems of (IL/DES + molecular solvent), how to obtain the model parameters was clarified, and the possibility and reliability of the used model in representing thermodynamic and kinetic properties were illustrated and discussed.



中文翻译:

通过 Eyring-NRTL 模型同时表示 ILs/DESs+共溶剂系统的热力学性质和粘度

在这项工作中,非随机两液体模型 (NRTL) 与 Eyring 的绝对速率理论 (Eyring-NRTL 模型) 相结合,以一组参数和十种含有离子的非水混合物同时研究热力学性质和粘度。研究中选择液体 (IL)/低共熔溶剂 (DES) 作为第一步。在模型参数化中,研究了三种策略,分别是粘度作为输入,有/没有蒸汽压的焓作为输入,以及焓和粘度作为输入,分别。研究表明,可以同时表示热力学和动力学特性。此外,可以使用具有从过量焓确定的合理参数的模型来预测粘度,在参数化中加入蒸气压和有限粘度数据可以进一步提高模型在粘度方面的性能。首次将热力学模型与Eyring理论相结合研究(IL/DES+分子溶剂)体系,阐明了模型参数的获取方式,以及所用模型在表示热力学和分子溶剂方面的可能性和可靠性。说明和讨论了动力学特性。

更新日期:2021-07-24
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