Thermodynamics Research Center / ThermoML | Journal of Chemical and Engineering Data

Binary and Ternary Vapor-Liquid Equilibrium Data of the System (Ethylbenzene + Styrene + 4-Methyl-N-butylpyridinium Tetrafluoroborate) at Vacuum Conditions and Liquid-Liquid Equilibrium Data of Their Binary Systems

Jongmans, M. T. G.[Mark T.G.], Raijmakers, M.[Mark], Schuur, B.[Boelo], Haan, A. B. d.[Andre B. de]
J. Chem. Eng. Data 2012, 57, 2, 626-633
ABSTRACT
Ethylbenzene and styrene are currently separated by ordinary fractional distillation, which is challenging due the low relative volatility of this mixture of 1.3 to 1.4. Extractive distillation is a promising alternative to save capital and operational expenditures. Recently, ionic liquids (ILs) have been reported as a promising option to replace commonly used organic solvents like sulfolane. The IL 4- methyl-N-butylpyridinium tetrafluoroborate ([4-mebupy]- [BF4]) is an IL with a strong effect on the relative volatility of the ethylbenzene/styrene mixture. In this work, binary VLE data in the range of (3 to 30) kPa, ternary VLE data at (5, 10, and 15) kPa, and binary LLE data at (313.2, 333.2, and 353.2) K have been determined for the system (ethylbenzene + styrene + [4-mebupy][BF4]). The ternary VLE experiments show that [4- mebupy][BF4] can enhance the relative volatility up to 2.7 to 2.8, and thereby [4-mebupy][BF4] has a stronger effect on the relative volatility than the benchmark solvent sulfolane, which can increase the relative volatility up to 2.3. Therefore, [4- mebupy][BF4] is a promising solvent for use in extractive distillation to separate ethylbenzene from styrene. The binary and ternary VLE data were correlated separately with the NRTL model and were regressed both together with the binary LLE data. The NRTL model could describe both data sets properly. The ternary VLE data could not be properly calculated by the binary NRTL parameters determined solely from the binary systems.
Compounds
# Formula Name
1 C8H10 ethylbenzene
2 C10H16BF4N 1-butyl-4-methylpyridinium tetrafluoroborate
3 C8H8 styrene
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
  • Vapor or sublimation pressure, kPa ; Liquid
  • Mole fraction - 1; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 33
  • POMD
  • 1
  • 2
  • Mole fraction - 1 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Chromatography
  • 3
  • POMD
  • 1
  • 2
  • Mole fraction - 1 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 2
  • Liquid mixture 1
  • Chromatography
  • 3
  • POMD
  • 3
  • 2
  • Vapor or sublimation pressure, kPa ; Liquid
  • Mole fraction - 3; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 32
  • POMD
  • 3
  • 2
  • Mole fraction - 3 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Chromatography
  • 3
  • POMD
  • 3
  • 2
  • Mole fraction - 3 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 2
  • Liquid mixture 1
  • Chromatography
  • 3
  • POMD
  • 1
  • 3
  • 2
  • Mole fraction - 1 ; Gas
  • Mole fraction - 3 ; Liquid
  • Mass fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 3; Gas
  • Gas
  • Liquid
  • Chromatography
  • Chromatography
  • Chromatography
  • 21
  • POMD
  • 1
  • 3
  • Boiling temperature at pressure P, K ; Liquid
  • Mole fraction - 1; Gas
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 18