Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Thermodynamics of isomeric hexynes +MTBE binary mixtures

Boukais-Belaribi, G.[Ghenima], Belaribi, B. F.[Brahim Farid], Ait-Kaci, A.[Ahmed], Jose, J.[Jacques]
Fluid Phase Equilib. 2006, 248, 2, 181-190
ABSTRACT
The vapor pressures of liquid hex-1-yne or hex-2-yne + methyl 1,1-dimethylethyl ether (MTBE) binary mixtures and of the three pure components were measured by a static method at several temperatures between 263 and 343 K. These data were correlated with the Antoine equation. Excess molar Gibbs energies GE were calculated for several constant temperatures, taking into account the vapor-phase imperfection in terms of the second molar virial coefficients, and were fitted to the Redlich Kister equation. Calorimetric excess enthalpy HE measurements, for these binary mixtures, are also reported at 298.15 K. The experimental VLE and HE data were used, examining the binary mixtures hex-1-yne or hex-2-yne +MTBE in the framework of the DISQUAC and modified UNIFAC (Do) models. The DISQUAC calculations, reporting a new set of interaction parameters for the contact carbon carbon triple bond/oxygen ether, is regarded as a preliminary approach.
Compounds
# Formula Name
1 C6H10 1-hexyne
2 C5H12O 2-methoxy-2-methylpropane
3 C6H10 2-hexyne
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
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 10
  • POMD
  • 2
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 10
  • POMD
  • 3
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 10
  • POMD
  • 1
  • 2
  • Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Flow calorimetry
  • 10
  • POMD
  • 1
  • 2
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 80
  • POMD
  • 3
  • 2
  • Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid
  • Mole fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Flow calorimetry
  • 6
  • POMD
  • 3
  • 2
  • Vapor or sublimation pressure, kPa ; Liquid
  • Mole fraction - 3; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 15
  • POMD
  • 3
  • 2
  • Vapor or sublimation pressure, kPa ; Liquid
  • Mole fraction - 3; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 68