Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Ionic association and interactions in aqueous methylsulfate alkyl-imidazolium-based ionic liquids

Andanson, J.-M., Traikia, M., Husson, P.
J. Chem. Thermodyn. 2014, 77, 214-221
ABSTRACT
Several experimental techniques were used to study ionic association and interactions in aqueous [C1C2Im][MeSO4], 1-ethyl-3-methylimidazolium methylsulfate, and [C1C4Im][MeSO4], 1-butyl-3-methylimidazolium methylsulfate. Two transport properties, viscosity and electrical conductivity, were determined for these two binary mixtures. For a better assessment of the ionic association and the perturbation of water into the molecular structure of the ionic liquid, diffusion coefficients of ions and water molecules were obtained by NMR spectroscopy while molecular interactions were probed by IR spectroscopy. The comparison of the two ionic liquids shows that for the shorter alkyl chain the viscosity was lower and the electrical conductivity was higher. While the viscosity of the mixture drops already with small additions of water, the electrical conductivity of the solution is only significantly increased for high water concentrations. A maximum is observed for compositions around xwater = (0.90 to 0.95). The SO3 asymmetric stretching band of the IR spectrum can be used as a probe to observe the evolution of the structure around the anion which was mainly occurring for high concentrations of water. Several experimental techniques show than the main change in the ionic association was only observed for high water contents (water mole fraction greater than 0.8).
Compounds
# Formula Name
1 C7H14N2O4S 1-ethyl-3-methylimidazolium methylsulfate
2 C9H18N2O4S 1-butyl-3-methylimidazolium methyl sulfate
3 H2O water
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
  • Falling or rolling sphere viscometry
  • 1
  • POMD
  • 1
  • Electrical conductivity, S/m ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Alternating current cell with electrodes
  • 1
  • POMD
  • 1
  • Self diffusion coefficient, m2/s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • PFG NMR Spectroscopy
  • 1
  • POMD
  • 2
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Falling or rolling sphere viscometry
  • 1
  • POMD
  • 2
  • Electrical conductivity, S/m ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Alternating current cell with electrodes
  • 1
  • POMD
  • 2
  • Self diffusion coefficient, m2/s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • PFG NMR Spectroscopy
  • 1
  • POMD
  • 3
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Falling or rolling sphere viscometry
  • 1
  • POMD
  • 3
  • Self diffusion coefficient, m2/s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • PFG NMR Spectroscopy
  • 1
  • POMD
  • 3
  • 1
  • Viscosity, Pa*s ; Liquid
  • Mole fraction - 3; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Falling or rolling sphere viscometry
  • 8
  • POMD
  • 3
  • 1
  • Electrical conductivity, S/m ; Liquid
  • Mole fraction - 3; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Alternating current cell with electrodes
  • 7
  • POMD
  • 3
  • 1
  • Tracer diffusion coefficient, m2/s - 1 ; Liquid
  • Mole fraction - 3; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • PFG NMR Spectroscopy
  • 6
  • POMD
  • 3
  • 1
  • Tracer diffusion coefficient, m2/s - 3 ; Liquid
  • Mole fraction - 3; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • PFG NMR Spectroscopy
  • 6
  • POMD
  • 3
  • 2
  • Viscosity, Pa*s ; Liquid
  • Mole fraction - 3; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Falling or rolling sphere viscometry
  • 6
  • POMD
  • 3
  • 2
  • Electrical conductivity, S/m ; Liquid
  • Mole fraction - 3; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Alternating current cell with electrodes
  • 8
  • POMD
  • 3
  • 2
  • Tracer diffusion coefficient, m2/s - 2 ; Liquid
  • Mole fraction - 3; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • PFG NMR Spectroscopy
  • 7
  • POMD
  • 3
  • 2
  • Tracer diffusion coefficient, m2/s - 3 ; Liquid
  • Mole fraction - 3; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • PFG NMR Spectroscopy
  • 7