Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Liquid-liquid measurement and correlation for separation of azeotrope (dimethyl carbonate and ethanol) with different imidazolium-based ionic liquids

Wang, Ping, Yan, Peisong, Reyes-Labarta, Juan A., Gao, Jun, Xu, Dongmei, Zhang, Lianzheng, Wang, Yinglong
Fluid Phase Equilib. 2019, 485, 183-189
ABSTRACT
For separating the azeotrope of dimethyl carbonate (DMC) and ethanol, four imidazolium-based ionic liquids were selected as extractants. The liquid-liquid equilibrium data for the ternary systems DMC + ethanol + ILs were determined at 298.15 K under pressure of 101.3 kPa. The effect of ILs anions and the alkyl chain length of the cations on the liquid-liquid phase behavior was investigated and discussed. Moreover, the distribution coefficient and selectivity were calculated and analyzed to evaluate the most suitable IL to separate the azeotrope of DMC and ethanol. Meanwhile, the interaction energies of ILs with DMC and ethanol were explored. The calculated results indicate that the adopted ILs have strong interactions with ethanol than with DMC. In addition, the NRTL activity coefficient model was adopted to correlate the measured experimental data and the optimum binary interaction parameters were obtained.
Compounds
# Formula Name
1 C2H6O ethanol
2 C3H6O3 dimethyl carbonate
3 C6H12N2O4S 1-ethyl-3-methylimidazolium hydrogen sulfate
4 C7H14N2O4S 1-propyl-3-methylimidazolium hydrogen sulfate
5 C8H16N2O4S 1-butyl-3-methylimidazolium hydrogen sulfate
6 C6H11N3O3 1-ethyl-3-methylimidazolium nitrate
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
  • 1
  • 3
  • Mole fraction - 2 ; Liquid mixture 2
  • Mole fraction - 1 ; Liquid mixture 1
  • Mole fraction - 2 ; Liquid mixture 1
  • Mole fraction - 1; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • Chromatography
  • Chromatography
  • Chromatography
  • 9
  • POMD
  • 2
  • 1
  • 4
  • Mole fraction - 2 ; Liquid mixture 2
  • Mole fraction - 1 ; Liquid mixture 1
  • Mole fraction - 2 ; Liquid mixture 1
  • Mole fraction - 1; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • Chromatography
  • Chromatography
  • Chromatography
  • 9
  • POMD
  • 2
  • 1
  • 5
  • Mole fraction - 2 ; Liquid mixture 2
  • Mole fraction - 1 ; Liquid mixture 1
  • Mole fraction - 2 ; Liquid mixture 1
  • Mole fraction - 1; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • Chromatography
  • Chromatography
  • Chromatography
  • 9
  • POMD
  • 2
  • 1
  • 6
  • Mole fraction - 1 ; Liquid mixture 2
  • Mole fraction - 1 ; Liquid mixture 1
  • Mole fraction - 2 ; Liquid mixture 1
  • Mole fraction - 2; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • Chromatography
  • Chromatography
  • Chromatography
  • 10
  • POMD
  • 2
  • 3
  • Mole fraction - 2 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • Chromatography
  • 1
  • POMD
  • 2
  • 3
  • Mole fraction - 2 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • Chromatography
  • 1
  • POMD
  • 2
  • 4
  • Mole fraction - 2 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • Chromatography
  • 1
  • POMD
  • 2
  • 4
  • Mole fraction - 2 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • Chromatography
  • 1
  • POMD
  • 2
  • 5
  • Mole fraction - 2 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • Chromatography
  • 1
  • POMD
  • 2
  • 5
  • Mole fraction - 2 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • Chromatography
  • 1
  • POMD
  • 2
  • 6
  • Mole fraction - 2 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • Chromatography
  • 1
  • POMD
  • 2
  • 6
  • Mole fraction - 2 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 2
  • Liquid mixture 1
  • Liquid mixture 2
  • Chromatography
  • 1