Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Multiphase equilibria for mixtures containing water, acetic acid, propionic acid, methyl acetate and methyl propionate

Hsieh, C.-T.[Cheng-Ting], Ji, W.-Y.[Wan-Yun], Lin, H. M.[Ho-Mu], Lee, M. J.[Ming-Jer]
Fluid Phase Equilib. 2008, 271, 1-2, 69-75
ABSTRACT
Isobaric vapor liquid equilibrium (VLE) data were measured for the binary mixtures of acetic acid +methyl propionate, propionic acid +methyl acetate, propionic acid +methyl propionate, and methyl propionate +methyl acetate in a temperature range of 330.05 413.15K at 101.3 kPa. Isothermal vapor liquid liquid equilibrium (VLLE) data were also measured for water +methyl acetate +methyl propionate over a pressure range of 43.7 157.0 kPa at 323.24 and 343.15 K. The NRTL-HOC and the UNIQUAC-HOC models with the model parameters determined from the phase equilibrium data of the constituent binaries were applied to predict the VLLE properties for water +methyl acetate +methyl propionate. The validity of the prediction from the UNIFAC-HOC and the UNIFAC-Lyngby-HOC was also tested with the ternary VLLE data. Additionally, the best-fitted values of the six binary parameters of the UNIQUAC-HOC were determined, simultaneously, from the isothermal VLLE ternary data as well.
Compounds
# Formula Name
1 C2H4O2 acetic acid
2 C3H6O2 propanoic acid
3 C3H6O2 methyl ethanoate
4 C4H8O2 methyl propanoate
5 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
  • 3
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • EBULLIO:UFactor:6
  • 1
  • POMD
  • 4
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • EBULLIO:UFactor:8
  • 1
  • POMD
  • 1
  • 4
  • Boiling temperature at pressure P, K ; Gas
  • Mole fraction - 1; Gas
  • Pressure, kPa; Gas
  • Gas
  • Liquid
  • EBULLIO:UFactor:8
  • 10
  • POMD
  • 1
  • 4
  • Mole fraction - 1 ; Liquid
  • Mole fraction - 1; Gas
  • Pressure, kPa; Gas
  • Liquid
  • Gas
  • CHROM:UFactor:6
  • 9
  • POMD
  • 2
  • 3
  • Boiling temperature at pressure P, K ; Gas
  • Mole fraction - 2; Gas
  • Pressure, kPa; Gas
  • Gas
  • Liquid
  • EBULLIO:UFactor:6
  • 11
  • POMD
  • 2
  • 3
  • Mole fraction - 2 ; Liquid
  • Mole fraction - 2; Gas
  • Pressure, kPa; Gas
  • Liquid
  • Gas
  • CHROM:UFactor:6
  • 10
  • POMD
  • 2
  • 3
  • Mole fraction - 2 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • CHROM:UFactor:6
  • 1
  • POMD
  • 2
  • 4
  • Boiling temperature at pressure P, K ; Gas
  • Mole fraction - 2; Gas
  • Pressure, kPa; Gas
  • Gas
  • Liquid
  • EBULLIO:UFactor:6
  • 9
  • POMD
  • 2
  • 4
  • Mole fraction - 2 ; Liquid
  • Mole fraction - 2; Gas
  • Pressure, kPa; Gas
  • Liquid
  • Gas
  • CHROM:UFactor:6
  • 8
  • POMD
  • 3
  • 4
  • Boiling temperature at pressure P, K ; Gas
  • Mole fraction - 4; Gas
  • Pressure, kPa; Gas
  • Gas
  • Liquid
  • EBULLIO:UFactor:6
  • 9
  • POMD
  • 3
  • 4
  • Mole fraction - 4 ; Liquid
  • Mole fraction - 4; Gas
  • Pressure, kPa; Gas
  • Liquid
  • Gas
  • CHROM:UFactor:6
  • 8
  • POMD
  • 3
  • 5
  • Vapor or sublimation pressure, kPa ; Gas
  • Temperature, K; Gas
  • Gas
  • Liquid mixture 1
  • Liquid mixture 2
  • EBULLIO:UFactor:8
  • 2
  • POMD
  • 3
  • 5
  • Mole fraction - 3 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Liquid mixture 1
  • Gas
  • Liquid mixture 2
  • CHROM:UFactor:8
  • 2
  • POMD
  • 3
  • 5
  • Mole fraction - 3 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Liquid mixture 2
  • Gas
  • Liquid mixture 1
  • CHROM:UFactor:8
  • 2
  • POMD
  • 3
  • 5
  • Mole fraction - 3 ; Gas
  • Temperature, K; Gas
  • Gas
  • Liquid mixture 1
  • Liquid mixture 2
  • CHROM:UFactor:8
  • 2
  • POMD
  • 4
  • 5
  • Vapor or sublimation pressure, kPa ; Gas
  • Temperature, K; Gas
  • Gas
  • Liquid mixture 1
  • Liquid mixture 2
  • EBULLIO:UFactor:8
  • 2
  • POMD
  • 4
  • 5
  • Mole fraction - 4 ; Gas
  • Temperature, K; Gas
  • Gas
  • Liquid mixture 1
  • Liquid mixture 2
  • Chromatography
  • 2
  • POMD
  • 4
  • 5
  • Mole fraction - 4 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Liquid mixture 1
  • Gas
  • Liquid mixture 2
  • CHROM:UFactor:8
  • 2
  • POMD
  • 4
  • 5
  • Mole fraction - 4 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Liquid mixture 2
  • Gas
  • Liquid mixture 1
  • CHROM:UFactor:8
  • 2
  • POMD
  • 3
  • 4
  • 5
  • Mole fraction - 3 ; Liquid mixture 1
  • Mole fraction - 3 ; Liquid mixture 2
  • Mole fraction - 3 ; Gas
  • Mole fraction - 4 ; Gas
  • Mole fraction - 4 ; Liquid mixture 1
  • Mole fraction - 4 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 1
  • Pressure, kPa; Liquid mixture 1
  • Liquid mixture 1
  • Gas
  • Liquid mixture 2
  • CHROM:UFactor:8
  • CHROM:UFactor:8
  • CHROM:UFactor:8
  • CHROM:UFactor:8
  • CHROM:UFactor:8
  • CHROM:UFactor:8
  • 13