Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Ebulliometric determination and prediction of (vapor + liquid) equilibria for binary and ternary mixtures containing alcohols (C1 C4) and dimethyl carbonate

Matsuda, H.[Hiroyuki], Fukano, M.[Makoto], Kikkawa, S.[Shinichiro], Constantinescu, D.[Dana], Kurihara, K.[Kiyofumi], Tochigi, K.[Katsumi], Ochi, K.[Kenji], Gmehling, J.[Jurgen]
J. Chem. Thermodyn. 2012, 44, 1, 84-96
ABSTRACT
(Vapor + liquid) equilibrium (VLE) data for a ternary mixture, namely {methanol + propan-1-ol + dimethyl carbonate (DMC)}, and four binary mixtures, namely an {alcohol (C3 or C4) + DMC}, containing the binary constituent mixtures of the ternary mixture, were measured at p = (40.00 to 93.32) kPa using a modified Swietoslawski-type ebulliometer. The experimental data for the binary systems were correlated using the Wilson model. The Wilson model was also applied to the ternary system to predict the VLE behavior using parameters from the binary mixtures. The modified UNIFAC (Dortmund) model was also tested for the predictions of the VLE behavior of the binary and ternary mixtures. In addition, the experimental VLE data for the ternary and constituent binary mixtures were correlated using the extended Redlich-Kister (ERK) model, which can completely represent the azeotropic points. For the ternary system, a comparison of the experimental and the predicted or correlated boiling points obtained using the Wilson and ERK models showed that the ERK model is more accurate. The valley line, i.e., the curve which divides the patterns of vapor liquid tie lines, was found in the (methanol + propan-1-ol + DMC) system. This valley line could be represented by the ERK model. Finally, the composition profile for simple distillation of this ternary mixture was obtained by analysis of the residue curves from the estimated Wilson parameters of the constituent binary mixtures.
Compounds
# Formula Name
1 CH4O methanol
2 C3H8O propan-1-ol
3 C4H10O butan-1-ol
4 C3H6O3 dimethyl carbonate
5 C3H8O propan-2-ol
6 C4H10O butan-2-ol
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
  • 2
  • Boiling temperature at pressure P, K ; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 1; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 105
  • POMD
  • 2
  • 4
  • Azeotropic composition: mole fraction - 2 ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • By X=Y
  • 5
  • POMD
  • 2
  • 4
  • Azeotropic composition: mole fraction - 2 ; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • By X=Y
  • 5
  • POMD
  • 2
  • 4
  • Boiling temperature at pressure P, K ; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 2; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 85
  • POMD
  • 5
  • 4
  • Azeotropic composition: mole fraction - 5 ; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • By X=Y
  • 5
  • POMD
  • 5
  • 4
  • Azeotropic composition: mole fraction - 5 ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • By X=Y
  • 5
  • POMD
  • 5
  • 4
  • Boiling temperature at pressure P, K ; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 5; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 85
  • POMD
  • 3
  • 4
  • Boiling temperature at pressure P, K ; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 3; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 55
  • POMD
  • 6
  • 4
  • Azeotropic composition: mole fraction - 6 ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • By X=Y
  • 5
  • POMD
  • 6
  • 4
  • Azeotropic composition: mole fraction - 6 ; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • By X=Y
  • 5
  • POMD
  • 6
  • 4
  • Boiling temperature at pressure P, K ; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 6; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 80
  • POMD
  • 1
  • 2
  • 4
  • Boiling temperature at pressure P, K ; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 1; Liquid
  • Mole fraction - 2; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 495