Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Study on the separation of 1-hexene and trans-3-hexene using ionic liquids

Jiqin, Z.[Zhu], Jian, C.[Chen], Chengyue, L.[Li], Weiyang, F.[Fei]
Fluid Phase Equilib. 2006, 247, 1-2, 102-106
ABSTRACT
The separation of hexene isomers is very important but difficult since their close boiling points. Room temperature ionic liquids are green solvents and have potential for the separation of hexene isomers by extraction or extractive distillation. Therefore, isothermal vapor liquid equilibrium data of 1-hexene and trans-3-hexene with 1-methyl-3-butylimidazolium hexafluorophosphate ([BMIM][PF6]) or with a complex of 1-isobutenyl- 3-methylimidazolium tetrafluoroborate ([iBeMIM][BF4]) ionic liquids with AgBF4 were measured by a headspace gas chromatography method. The solubilities of 1-hexene and trans-3-hexene in ionic liquids were determined experimentally. The NRTL model was used to correlate the binary vapor liquid equilibrium data to obtain interaction parameters. NRTL predictions for the ternary system are compared with the experimental data.
Compounds
# Formula Name
1 C6H12 hex-1-ene
2 C6H12 (E)-3-hexene
3 C8H15F6N2P 1-butyl-3-methylimidazolium hexafluorophosphate
4 C8H13BF4N2 1-isobutenyl-3-methylimidazolium tetrafluoroborate
5 AgBF4 silver tetrafluoroborate
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
  • 3
  • Mole fraction - 1 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Analysis of headspace GC VLE data
  • 3
  • POMD
  • 1
  • 3
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Liquid
  • Gas
  • Headspace gas chromatography
  • 49
  • POMD
  • 2
  • 3
  • Mole fraction - 2 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Analysis of headspace GC VLE data
  • 3
  • POMD
  • 2
  • 3
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 2; Liquid
  • Liquid
  • Gas
  • Headspace gas chromatography
  • 21
  • POMD
  • 1
  • 5
  • 4
  • Mole fraction - 1 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Solvent: Mole fraction - 5; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Analysis of headspace GC VLE data
  • 3
  • POMD
  • 1
  • 5
  • 4
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Solvent: Mole fraction - 4; Liquid
  • Liquid
  • Gas
  • Headspace gas chromatography
  • 24
  • POMD
  • 2
  • 5
  • 4
  • Mole fraction - 2 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Solvent: Mole fraction - 5; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Analysis of headspace GC VLE data
  • 3
  • POMD
  • 2
  • 5
  • 4
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 2; Liquid
  • Solvent: Mole fraction - 4; Liquid
  • Liquid
  • Gas
  • Headspace gas chromatography
  • 13
  • POMD
  • 1
  • 2
  • 3
  • Mole fraction - 1 ; Gas
  • Mole fraction - 1; Liquid
  • Mole fraction - 2; Liquid
  • Temperature, K; Gas
  • Gas
  • Liquid
  • CHROM:UFactor:6
  • 27