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

Study of Vapor-Liquid Equilibria for Acetic Acid + n-Propyl Acetate + Isopropyl Acetate Systems

Li, G.[Geng], Yin, X.[Xianqing], Jing, B.[Bo]
J. Chem. Eng. Data 2019, 64, 6, 2759-2766
ABSTRACT
The mixture of acetic acid, n-propyl acetate, and iso-propyl acetate, which needs to be separated, is obtained when iso-propyl acetate is produced by acetic acid and propene. The vapor-liquid equilibria (VLE) for acetic acid + n-propyl acetate + iso-propyl acetate ternary system and three subsystems were studied by ebulliometry at (20, 40, 60, 80, and 101.3) kPa. The vapor phase nonideality was described by the Hayden-O'Connell (HOC) equation and the liquid phase nonideality was represented by NRTL model and UNIQUAC model, respectively. The model parameters for acetic acid-n-propyl acetate, acetic acid-iso-propyl acetate and npropyl acetate-iso-propyl acetate were acquired from the experimental data, with the aid of Aspen Plus. The maximum overall average deviation of temperature between the experiment and model prediction is 0.46 K for NRTL-HOC model and 0.47 K for UNIQUAC-HOC model. The VLE data, as well as the model parameters acquired, may provide basic information for the separation of iso-propyl acetate by distillation.
Compounds
# Formula Name
1 C2H4O2 acetic acid
2 C5H10O2 propyl ethanoate
3 C5H10O2 1-methylethyl 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
  • Boiling temperature at pressure P, K ; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 22
  • POMD
  • 1
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 5
  • POMD
  • 2
  • Boiling temperature at pressure P, K ; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 19
  • POMD
  • 2
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 5
  • POMD
  • 3
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 5
  • POMD
  • 1
  • 2
  • Boiling temperature at pressure P, K ; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 1; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 55
  • POMD
  • 1
  • 3
  • Boiling temperature at pressure P, K ; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 1; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 105
  • POMD
  • 2
  • 3
  • Boiling temperature at pressure P, K ; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 2; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 55
  • POMD
  • 2
  • 3
  • Boiling temperature at pressure P, K ; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 2; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 5
  • POMD
  • 1
  • 2
  • 3
  • Boiling temperature at pressure P, K ; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 1; Liquid
  • Solvent: Amount ratio of component to other component of binary solvent - 2; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 55