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

Measurement and Modeling of Vapor Liquid Equilibria for Systems Containing Alcohols, Water, and Imidazolium-Based Phosphate Ionic Liquids

Wang, J.[Junfeng], Li, Z.[Zhibao]
J. Chem. Eng. Data 2013, 58, 6, 1641-1649
ABSTRACT
Vapor liquid equilibiria (VLE) were measured for systems containing 1-methyl-3-ethylimidazolium diethylphosphate ([EMIM][DEP]) ionic liquid (IL) in the temperature range from 310 K to 390 K. The systems include 1-propanol + [EMIM][DEP], 2-propanol + [EMIM][DEP], water +1-propanol + [EMIM][DEP], and water + 2-propanol + [EMIM][DEP]. [EMIM][DEP] was divided into one 1,3-dimethylimidazolium dimethylphosphate ([MMIM][DMP]) and three methylene (CH2) electrically neutral groups. And then the experimental VLE data for binary systems containing [EMIM][DEP] were regressed using the modified UNIFAC model with the maximum average relative deviation (ARD) of 2.7 %. The newly obtained interaction parameters between groups allowed the reliable prediction of other binary and ternary systems containing [MMIM][DMP] and [EMIM][DEP] without parametrization. It was found that both of the ILs can give rise to the salting-out effect, and lead to a breaking of the azeotropic behavior of alcohols + water mixtures. [MMIM][DMP] shows a higher separation ability for the azeotropic mixture studied than [EMIM][DEP].
Compounds
# Formula Name
1 C3H8O propan-1-ol
2 C3H8O propan-2-ol
3 C10H21N2O4P 1-ethyl-3-methylimidazolium diethyl phosphate
4 H2O water
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
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 32
  • POMD
  • 2
  • 3
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 2; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 32
  • POMD
  • 1
  • 4
  • 3
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 4; Liquid
  • Mole fraction - 1; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 40
  • POMD
  • 2
  • 4
  • 3
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 4; Liquid
  • Mole fraction - 2; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 40