Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Investigation on isobaric vapor-liquid equilibrium for acetic acid + water + (n-propyl acetate or iso-butyl acetate)

Zhang, C.[Chundong], Wan, H.[Hui], Xue, L.[Lijun], Guan, G.[Guofeng]
Fluid Phase Equilib. 2011, 305, 1, 68-75
ABSTRACT
Isobaric vapor-liquid equilibrium (VLE) data for acetic acid + water, acetic acid + n-propyl acetate, acetic acid + iso-butyl acetate, acetic acid + water + n-propyl acetate, acetic acid + water + iso-butyl acetate are measured at 101.33 kPa with a modified Rose still. The nonideal behavior in vapor phase caused by the association of acetic acid are corrected by the chemical theory and Hayden-O'Connell method, and analyzed by calculating the second virial coefficients and apparent fugacity coefficients. The VLE data for acetic acid + water, acetic acid + n-propyl acetate, and acetic acid + iso-butyl acetate are correlated through the NRTL and UNIQUAC models using the nonlinear least square method. The obtained NRTL model parameters are used to predict the ternary VLE data. The ternary predicted values obtained in this way agree well with the experimental values.
Compounds
# Formula Name
1 C2H4O2 acetic acid
2 H2O water
3 C5H10O2 propyl ethanoate
4 C6H12O2 2-methylpropyl ethanoate
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
  • 2
  • Mole fraction - 2 ; Liquid
  • Mole fraction - 2 ; Gas
  • Mole fraction - 1 ; Gas
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • Chromatography
  • Chromatography
  • Chromatography
  • 18
  • POMD
  • 1
  • 4
  • 2
  • Mole fraction - 2 ; Liquid
  • Mole fraction - 2 ; Gas
  • Mole fraction - 1 ; Gas
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • Chromatography
  • Chromatography
  • Chromatography
  • 15