Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Phase equilibria of the ternary system vinyl acetate/(R,S)-1-phenylethanol/carbon dioxide at high pressure conditions

Paiva, A.[Alexandre], Gerasimov, K.[Krasimir], Brunner, G.[Gerd]
Fluid Phase Equilib. 2008, 267, 2, 104-112
ABSTRACT
Phase equilibrium measurements, correlations and predictions are presented for the binary systems (R,S)-1-phenylethanol/CO2 and vinyl acetate/CO2 and for the ternary system vinyl acetate/(R,S)-1-phenylethanol/CO2. Experiments for the ternary system were performed in the temperature range of 323 343 K and in the pressure range of 7 12 MPa, using a high pressure phase equilibrium apparatus with a high pressure visual variable volume cell. Phase compositions were determined by taking samples of each phase and analysing them by gas chromatography. Equilibrium data were correlated with the Peng Robinson equation of state combined with the Mathias Klotz Prausnitz mixing rule. A good correlation of both phases behaviour was obtained with an average absolute deviation (AAD) of 6.80%. Predictions for the binary sub-systems and for the ternary system were performed using the Peng Robinson and the Soave Redlich Kwong equation of state, with the predictive mixing rule MHV1.
Compounds
# Formula Name
1 C4H6O2 vinyl acetate
2 C8H10O 1-phenylethanol
3 CO2 carbon dioxide
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
  • 2
  • 1
  • 3
  • Mole fraction - 2 ; Gas
  • Mole fraction - 2 ; Liquid
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 1; Gas
  • Gas
  • Liquid
  • Chromatography
  • Chromatography
  • Chromatography
  • 37