Application of the significant structure theory for the viscosity modeling of ionic fluids

Abstract

The present work introduces the application of a modified significant structure theory (SST) in order to obtain improved representations of the dynamic viscosity of several representative last-generation ionic fluids: pure ionic liquids (ILs) and deep eutectic solvents (DESs). The activated-state variables present in the resulting SST-based model were related to well-known thermodynamic potentials (residual internal energy, liquid and solid molar volumes) which in turn were estimated from two simple cubic equations of state of the van der Waals type: Soave-Redlich-Kwong or Peng-Robinson. The modifications introduced to the SST approach were successfully verified during the correlation and prediction of experimental dynamic viscosities of 3 families of imidazolium-based ILs ([CXmim][BF4], [CXmim][PF6] and [CXmim][Tf2N]), one pyridinium-based IL ([b3mpy][BF4]), one pyrrolidinium-based IL ([P14][Tf2N]), one ammonium-based IL ([N1114][Tf2N]) and four ILs having nonfluorinated anions ([dmim][MeSO4], [bmim][EtSO4], [bmim][Ac] and [b3mpy][dca]) over a temperature range varying from 273.15 to 438.15 K and at pressures from 1 to 3,000 bar We also considered three archetypal choline chloride-based DESs for model validation: Reline, Ethaline and Glyceline within a temperature range varying from 293.15 to 373.15 K and at pressures from 1 to 1,000 bar