Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Separation of acetonitrile and methanol azeotropic mixture using imidazolium-based ionic liquids as entrainers

Zhang, Zhigang, Yang, Ru, Li, Wenxiu, Zhang, Tao, Zhang, Debiao, Zhang, Qinqin
Fluid Phase Equilib. 2018, 477, 12-18
ABSTRACT
In this work, three imidazolium-based ionic liquids (ILs) with different anions, namely 1-butyl-3-methylimidazolium chloride ([BMIM][Cl]), 1-butyl-3-methylimidazolium bromide ([BMIM][Br]) and 1-butyl-3-methylimidazolium acetate ([BMIM][OAc]), were tested as entrainers to separate acetonitrile and methanol mixtures. Isobaric vapor-liquid equilibrium (VLE) data of the acetonitrile (1) + methanol (2) + IL ternary systems were measured at 101.3 kPa. Addition of ILs produced a salting-out effect on acetonitrile, thus leading to the increase of the relative volatility of acetonitrile to methanol. As IL content increased to a certain value, the azeotropic point of acetonitrile and methanol could be totally eliminated. In addition, the separation performance of ILs was closely related to anion structure, with [BMIM][OAc] producing the most significant salting-out effect orderly followed by [BMIM][Cl] and [BMIM][ Br]. Finally, the measured ternary VLE data were correlated with the nonrandom two-liquid (NRTL) model, and sigma-Profiles were used to explain the separation performance differences of the three ILs.
Compounds
# Formula Name
1 C2H3N acetonitrile
2 CH4O methanol
3 C8H15ClN2 1-butyl-3-methylimidazolium chloride
4 C8H15BrN2 1-butyl-3-methylimidazolium bromide
5 C10H18N2O2 1-butyl-3-methylimidazolium acetate
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
  • 2
  • Boiling temperature at pressure P, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 16
  • POMD
  • 1
  • 2
  • Mole fraction - 1 ; Gas
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Gas
  • Liquid
  • Chromatography
  • 16
  • POMD
  • 1
  • 2
  • 3
  • Mole fraction - 3 ; Liquid
  • Mole fraction - 3 ; Gas
  • Mole fraction - 1 ; Gas
  • Temperature, K; Gas
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • Chromatography
  • Chromatography
  • Chromatography
  • 36
  • POMD
  • 1
  • 2
  • 4
  • Mole fraction - 4 ; Liquid
  • Mole fraction - 4 ; Gas
  • Mole fraction - 1 ; Gas
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • Chromatography
  • Chromatography
  • Chromatography
  • 48
  • POMD
  • 1
  • 2
  • 5
  • Mole fraction - 5 ; Liquid
  • Mole fraction - 5 ; Gas
  • Mole fraction - 1 ; Gas
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • Chromatography
  • Chromatography
  • Chromatography
  • 36