Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

[1-Ethyl-2,3-dimethyl-Imidazolium][EthylSulfate]-based aqueous two phase systems: new experimental data and modelling

Paraj, A.[Aliakbar], Haghtalab, A.[Ali], Mokhtarani, B.[Babak]
Fluid Phase Equilib. 2014, 382, 212-218
ABSTRACT
In this work, a new type of ionic-liquid-based aqueous two phase systems namely [1-ethyl-2,3- dimethylimidazolium][ethylsulfate] ([emmim][eSO4]) . salt is introduced and investigated. Effect of various inorganic salts Na2CO3, Na2SO4 and K2HPO4 on the phase forming ability of [emmim][eSO4] at different temperature (T/K=288.15, 298.15 and 313.15) are assessed. The results indicate that the effect of temperature in comparison with salt effect is negligible and the ability of the salts to phase separation of the [emmim][eSO4]-based aqueous two phase systems, follows the order Na2CO3 . Na2SO4 greater than K2HPO4 . Moreover, the experimental data are successfully correlated using a new thermodynamic model based on symmetrical activity coefficient model with an overall average relative deviation (ARD) of 0.0710. In this model, the long-range contribution is accounted by Pitzer.Debye.Huckel (PDH) equation while the shortrange contribution is considered by nonelectrolyte Wilson Non-Randomness-Factor (Wilson- NRF) model. The result of the correlation shows that the applied model could successfully correlate the phase behavior of the ionic liquid-based aqueous two phase systems.
Compounds
# Formula Name
1 C9H18N2O4S 1-ethyl-2,3-dimethyl-1H-imidazol-3-ium ethyl sulfate
2 HNa2O4P disodium hydrogen phosphate
3 CNa2O3 sodium carbonate
4 Na2O4S sodium sulfate
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
  • 3
  • 5
  • 1
  • Mass fraction - 1 ; Liquid mixture 2
  • Mass fraction - 3 ; Liquid mixture 1
  • Mass fraction - 1 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Mass fraction - 3; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 2
  • Liquid mixture 1
  • OTHER
  • OTHER
  • OTHER
  • 27
  • POMD
  • 5
  • 4
  • 1
  • Mass fraction - 4 ; Liquid mixture 1
  • Mass fraction - 4 ; Liquid mixture 2
  • Mass fraction - 1 ; Liquid mixture 2
  • Mass fraction - 1; Liquid mixture 1
  • Temperature, K; Liquid mixture 2
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • OTHER
  • OTHER
  • OTHER
  • 6
  • POMD
  • 2
  • 5
  • 1
  • Mass fraction - 2 ; Liquid mixture 1
  • Mass fraction - 1 ; Liquid mixture 2
  • Mass fraction - 2 ; 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
  • OTHER
  • OTHER
  • OTHER
  • 30