Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Vapor liquid equilibria of {n-heptane + toluene + [emim][DCA]} system by headspace gas chromatography

Navarro, P.[Pablo], Larriba, M.[Marcos], Garcia, J.[Julian], Gonzalez, E. J.[Emilio J.], Rodriguez, F.[Francisco]
Fluid Phase Equilib. 2015, 387, 209-216
ABSTRACT
The potential use of ionic liquids (ILs) in the extraction of aromatics from aromatic/aliphatic mixtures has been widely evaluated in the last decade. In addition to the good results obtained in the extraction step, the non-volatile character of ILs could simplify the aromatic recovery unit. However, the scarce vapor liquid equilibria (VLE) data for {aliphatic + aromatic + IL} systems demand additional experimental VLE data for such systems to correctly define the aromatic recovery from the extract stream. Only then, it will be possible to assess as a whole if the application of ILs as replacement to conventional organic solvents could represent a real improvement of the present aromatic extraction industrial methods. Thus, the aim of this work has been to measure the VLE for the {n-heptane + toluene + 1-ethyl-3-methylimidazolium dicyanamide ([emim][DCA])} system. This mixture includes one of the most promising IL-based solvents reported previously for aromatic extraction. Static headspace gas chromatography (HS-GC) was employed to measure isothermal VLE at 323.2 K, 343.2 K, and 363.2 K over the whole range of compositions within the rich-IL miscibility region. Also, the correlation of the VLE data to non-random two liquids (NRTL) thermodynamic model was successfully done. A high increase in the n-heptane relative volatility from toluene was achieved under the presence of [emim][DCA].
Compounds
# Formula Name
1 C8H11N5 1-ethyl-3-methylimidazolium dicyanamide
2 C7H16 heptane
3 C7H8 toluene
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
  • Vapor or sublimation pressure, kPa ; Gas
  • Temperature, K; Liquid
  • Mole fraction - 2; Liquid
  • Gas
  • Liquid
  • Closed cell (Static) method
  • 33
  • POMD
  • 3
  • 1
  • Vapor or sublimation pressure, kPa ; Gas
  • Temperature, K; Liquid
  • Mole fraction - 3; Liquid
  • Gas
  • Liquid
  • Closed cell (Static) method
  • 33
  • POMD
  • 3
  • 2
  • 1
  • Mole fraction - 2 ; Gas
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Solvent: Mole fraction - 2; Liquid
  • Gas
  • Liquid
  • Chromatography
  • 99
  • POMD
  • 3
  • 2
  • Mole fraction - 2 ; Gas
  • Temperature, K; Liquid
  • Mole fraction - 2; Liquid
  • Gas
  • Liquid
  • Chromatography
  • 12
  • POMD
  • 3
  • 2
  • Vapor or sublimation pressure, kPa ; Gas
  • Temperature, K; Liquid
  • Mole fraction - 2; Liquid
  • Gas
  • Liquid
  • Closed cell (Static) method
  • 12