Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Isobaric vapor-liquid equilibrium for methanol + methyl acetate with ionic liquids [OMMIM][Tf2N] and [OMIM][Tf2N] as entrainers at 101.3 kPa

Shang, Wenyan, Cui, Xianbao, Yu, Xufeng, Zhang, Ying, Feng, Tianyang, He, Jie, Zhang, Xuemei, Wang, Jixiao
Fluid Phase Equilib. 2018, 473, 90-97
ABSTRACT
The ionic liquids 1-methyl-3-octylimidazoliumbis (trifluoromethylsulfonyl)imide ([OMIM][Tf2N]) and 1,2-dimethyl-3-octylimidazolium bis(trifluoromethylsulfonyl)imide ([OMMIM][Tf2N]) were utilized as extractive distillation entrainers to make methanol as the volatile component for the separation of the azeotropic mixture of methanol and methyl acetate. Isobaric VLE data for the methanol (1) + methyl acetate (2) + [OMIM][Tf2N] and methanol (1) + methyl acetate (2) + [OMMIM][Tf2N] were measured at 101.3 kPa. The experimental data were correlated by NRTL model and UNIFAC model, and the NRTL model is more accurate. Both [OMIM][Tf2N] and [OMMIM][Tf2N] produce notable salting-out effects and make methanol as the volatile component, and the azeotropic point of methanol + methyl acetate can be eliminated if the mole fraction of [OMMIM][Tf2N] or [OMIM][Tf2N] is greater than 0.4. The mechanism of [OMMIM][Tf2N] and [OMIM][Tf2N] to improve the relative volatility of methanol to methyl acetate were investigated, and the salting-out effects of [OMMIM][Tf2N] is a little larger.
Compounds
# Formula Name
1 C3H6O2 methyl ethanoate
2 CH4O methanol
3 C14H23F6N3O4S2 1-octyl-3-methylimidazolium bis[(trifluoromethyl)sulfonyl]imide
4 C15H25F6N3O4S2 2,3-dimethyl-1-octyl-1H-imidazolium bis(trifluoromethylsulfonyl)amide
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
  • Normal boiling temperature, K ; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 1
  • POMD
  • 2
  • Normal boiling temperature, K ; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 1
  • POMD
  • 2
  • 1
  • 3
  • Boiling temperature at pressure P, K ; Liquid
  • Mole fraction - 3; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 33
  • POMD
  • 2
  • 1
  • 3
  • Mole fraction - 2 ; Gas
  • Mole fraction - 3; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Gas
  • Gas
  • Liquid
  • Chromatography
  • 33
  • POMD
  • 2
  • 1
  • 3
  • Mole fraction - 3 ; Gas
  • Mole fraction - 3; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Gas
  • Gas
  • Liquid
  • Chromatography
  • 33
  • POMD
  • 2
  • 1
  • 4
  • Boiling temperature at pressure P, K ; Liquid
  • Mole fraction - 4; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 33
  • POMD
  • 2
  • 1
  • 4
  • Mole fraction - 2 ; Gas
  • Mole fraction - 4; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Gas
  • Gas
  • Liquid
  • Chromatography
  • 33
  • POMD
  • 2
  • 1
  • 4
  • Mole fraction - 4 ; Gas
  • Mole fraction - 4; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Gas
  • Gas
  • Liquid
  • Chromatography
  • 33
  • POMD
  • 2
  • 1
  • Boiling temperature at pressure P, K ; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 13
  • POMD
  • 2
  • 1
  • Mole fraction - 2 ; Gas
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Gas
  • Gas
  • Liquid
  • Chromatography
  • 13
  • POMD
  • 1
  • 3
  • Boiling temperature at pressure P, K ; Liquid
  • Mole fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 3
  • POMD
  • 1
  • 3
  • Mole fraction - 3 ; Gas
  • Mole fraction - 3; Liquid
  • Pressure, kPa; Gas
  • Gas
  • Liquid
  • Chromatography
  • 3
  • POMD
  • 2
  • 3
  • Boiling temperature at pressure P, K ; Liquid
  • Mole fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 3
  • POMD
  • 2
  • 3
  • Mole fraction - 3 ; Gas
  • Mole fraction - 3; Liquid
  • Pressure, kPa; Gas
  • Gas
  • Liquid
  • Chromatography
  • 3
  • POMD
  • 1
  • 4
  • Boiling temperature at pressure P, K ; Liquid
  • Mole fraction - 4; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 3
  • POMD
  • 1
  • 4
  • Mole fraction - 4 ; Gas
  • Mole fraction - 4; Liquid
  • Pressure, kPa; Gas
  • Gas
  • Liquid
  • Chromatography
  • 3
  • POMD
  • 2
  • 4
  • Boiling temperature at pressure P, K ; Liquid
  • Mole fraction - 4; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 3
  • POMD
  • 2
  • 4
  • Mole fraction - 4 ; Gas
  • Mole fraction - 4; Liquid
  • Pressure, kPa; Gas
  • Gas
  • Liquid
  • Chromatography
  • 3