Simultaneous representation of thermodynamic properties and viscosities of ILs/DESs+co-solvent systems by Eyring-NRTL model

Abstract

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.