Thermodynamics Research Center / ThermoML | Journal of Chemical and Engineering Data

Temperature-Dependent Density and Viscosity of the Ionic Liquids 1-Alkyl-3-methylimidazolium Iodides: Experiment and Molecular Dynamics Simulation

Ghatee, M. H.[Mohammad Hadi], Zare, M.[Morteza], Moosavi, F.[Fatemeh], Zolghadr, A. R.[Amin Reza]
J. Chem. Eng. Data 2010, 55, 9, 3084-3088
ABSTRACT
The density and viscosity of synthesized 1-alkyl-3-methylimidazolium iodide ([Cnmim]I, n = 4, 6, 8) were measured in the wide range of temperature of (298 to 393) K. Using a vacuum line, measurements of the viscosity were made under a water-vapor free atmosphere. The viscosity decreases sharply with temperature and increases as the alkyl chain length increases. The molecular dynamics simulation was performed for the densities of these ionic liquids to remedy the lack of literature experimental data. The results are quite in agreement with the experiments, with a maximum deviation of 3.00 % due to [C8mim]I at 358 K. The viscosities fit best in the modified Arrhenius, Vogel-Fulcher-Tammann (VFT), and Litovitz equations. The viscosities also fit in the simple linear equation we proposed recently with accuracies comparable with Litovitz and VFT.
Compounds
# Formula Name
1 C8H15IN2 1-butyl-3-methylimidazolium iodide
2 C10H19IN2 1-hexyl-3-methylimidazolium iodide
3 C12H23IN2 1-methyl-3-octyl-1H-imidazolium iodide
Datasets
The table above is generated from the ThermoML associated json file (link above). POMD and RXND refer to PureOrMixture and Reaction Datasets. The compound numbers are included in properties, variables, and phases, if specificied; the numbers refer to the table of compounds on the left.
Type Compound-# Property Variable Constraint Phase Method #Points
  • POMD
  • 1
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • CAPTUB:UFactor:4
  • 19
  • POMD
  • 1
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Pycnometric method
  • 19
  • POMD
  • 2
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • CAPTUB:UFactor:4
  • 17
  • POMD
  • 2
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Pycnometric method
  • 17
  • POMD
  • 3
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • CAPTUB:UFactor:4
  • 17
  • POMD
  • 3
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Pycnometric method
  • 17