Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

[1-Ethyl-3-Methyl-Imidazolium][EthylSulfate]-based aqueous two phase systems: New experimental data and new modelling

Haghtalab, A.[Ali], Paraj, A.[Aliakbar], Mokhtarani, B.[Babak]
J. Chem. Thermodyn. 2013, 65, 83-90
ABSTRACT
Ionic liquids (ILs), a class of organic salts comprising entirely of ions, are considered as a novel replacement for many traditional organic compounds. Among the various ILs, the alkyl-sulfate derivatives have the great advantages such as synthesizing easily in a halide-free way at a reasonable cost with relatively low viscosity and considering as a promising IL in aqueous two-phase systems (ATPSs). In this work, a new ATPS is introduced through the aqueous salt IL solution. The effect of various inorganic salts such as K2HPO4, Na2SO4 and Na2CO3 are investigated on the phase separation of [1-Ethyl-3-Methyl-Imidazolium][ Ethyl-Sulfate] ([emim][eSO4])-based ATPSs at T = (288.15, 298.15, and 313.15) K. The results showed that the ability of phase separation of the salt IL based ATPS follows the order Na2CO3 greater than Na2- SO4 greater than K2HPO4. The experimental results are correlated successfully using a new model comprising the symmetrical Pitzer Debye Huckel (PDH) equation as a long-range contribution and non-random two liquid non-random factor (NRTL-NRF) equation as a short-range contribution. The new model is applied successfully to correlate the aqueous two-phase systems of {[1-Ethyl-3-Methyl-Imidazolium][Ethyl-Sulfate] ([emim][eSO4])} + salt solutions.
Compounds
# Formula Name
1 C8H16N2O4S 1-ethyl-3-methylimidazolium ethyl sulfate
2 CNa2O3 sodium carbonate
3 Na2O4S sodium sulfate
4 HK2O4P dipotassium hydrogen phosphate
5 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
  • 2
  • 5
  • 1
  • Mass fraction - 2 ; Liquid mixture 2
  • Mass fraction - 2 ; Liquid mixture 1
  • Mass fraction - 1 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Mass fraction - 1; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 2
  • Liquid mixture 1
  • atomic absorption spectroscopy
  • atomic absorption spectroscopy
  • atomic absorption spectroscopy
  • 29
  • POMD
  • 5
  • 4
  • 1
  • Mass fraction - 4 ; Liquid mixture 1
  • Mass fraction - 1 ; Liquid mixture 2
  • Mass fraction - 4 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Mass fraction - 1; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • atomic absorption spectroscopy
  • atomic absorption spectroscopy
  • atomic absorption spectroscopy
  • 30
  • POMD
  • 5
  • 3
  • 1
  • Mass fraction - 3 ; Liquid mixture 1
  • Mass fraction - 1 ; Liquid mixture 2
  • Mass fraction - 3 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Mass fraction - 1; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • atomic absorption spectroscopy
  • atomic absorption spectroscopy
  • atomic absorption spectroscopy
  • 18