Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Isothermal vapor-liquid equilibria, excess molar volume and the deviation of refractive indices for binary mixtures of 1-butanol, 1- hexanol, 3-methyl-1-butanol and butyl acetate

Lee, K.-H.[Kyeong-Ho], Park, S.-J.[So-Jin]
Fluid Phase Equilib. 2017, 436, 47-54
ABSTRACT
Experimental vapor-liquid equilibrium (VLE) data and mixture properties are reported toward developing a process for the separation of the traditional ABE (acetone + butanol + ethanol) fermentation. Isothermal VLE measurements at 343.2 K were performed by using headspace gas chromatography (HSGC) for binary systems {1-butanol + 3-methyl-1-butanol}, {1-butanol + 1-hexanol}, {butyl acetate + 3-methyl-1-butanol}, {butyl acetate + 1-hexanol} and {3-methyl-1-butanol + 1-hexanol}. The experimental VLE binary data were correlated using the Wilson, NRTL and UNIQUAC activity coefficient model equation. In addition, a digital vibrating tube densimeter and precision digital refractometer were used to determine the excess molar volume and the deviation of the refractive indices for the same binary systems at 298.2 K. The Redlich-Kister equation was employed to show that the determined excess molar volume and deviation of the refractive indices data were well correlated.
Compounds
# Formula Name
1 C4H10O butan-1-ol
2 C6H12O2 butyl ethanoate
3 C5H12O 3-methylbutan-1-ol
4 C6H14O hexan-1-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
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 1
  • POMD
  • 1
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 1
  • POMD
  • 2
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 1
  • POMD
  • 2
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 1
  • POMD
  • 3
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 1
  • POMD
  • 3
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 1
  • POMD
  • 4
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 1
  • POMD
  • 4
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 1
  • POMD
  • 1
  • 3
  • Vapor or sublimation pressure, kPa ; Gas
  • Mole fraction - 1; Liquid
  • Temperature, K; Gas
  • Gas
  • Liquid
  • Closed cell (Static) method
  • 19
  • POMD
  • 1
  • 3
  • Mole fraction - 1 ; Gas
  • Mole fraction - 1; Liquid
  • Temperature, K; Gas
  • Gas
  • Liquid
  • Chromatography
  • 19
  • POMD
  • 1
  • 3
  • Mass density, kg/m3 ; Liquid
  • Mole fraction - 1; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 11
  • POMD
  • 1
  • 3
  • Excess molar volume, m3/mol ; Liquid
  • Mole fraction - 1; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Calculated with densities of this investigation
  • 11
  • POMD
  • 1
  • 3
  • Refractive index (Na D-line) ; Liquid
  • Mole fraction - 1; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 11
  • POMD
  • 1
  • 4
  • Vapor or sublimation pressure, kPa ; Gas
  • Mole fraction - 1; Liquid
  • Temperature, K; Gas
  • Gas
  • Liquid
  • Closed cell (Static) method
  • 19
  • POMD
  • 1
  • 4
  • Mole fraction - 1 ; Gas
  • Mole fraction - 1; Liquid
  • Temperature, K; Gas
  • Gas
  • Liquid
  • Chromatography
  • 19
  • POMD
  • 1
  • 4
  • Mass density, kg/m3 ; Liquid
  • Mole fraction - 1; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 11
  • POMD
  • 1
  • 4
  • Excess molar volume, m3/mol ; Liquid
  • Mole fraction - 1; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Calculated with densities of this investigation
  • 11
  • POMD
  • 1
  • 4
  • Refractive index (Na D-line) ; Liquid
  • Mole fraction - 1; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 11
  • POMD
  • 3
  • 2
  • Vapor or sublimation pressure, kPa ; Gas
  • Mole fraction - 2; Liquid
  • Temperature, K; Gas
  • Gas
  • Liquid
  • Closed cell (Static) method
  • 20
  • POMD
  • 3
  • 2
  • Mole fraction - 2 ; Gas
  • Mole fraction - 2; Liquid
  • Temperature, K; Gas
  • Gas
  • Liquid
  • Chromatography
  • 20
  • POMD
  • 3
  • 2
  • Mass density, kg/m3 ; Liquid
  • Mole fraction - 2; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 11
  • POMD
  • 3
  • 2
  • Excess molar volume, m3/mol ; Liquid
  • Mole fraction - 2; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Calculated with densities of this investigation
  • 11
  • POMD
  • 3
  • 2
  • Refractive index (Na D-line) ; Liquid
  • Mole fraction - 2; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 11
  • POMD
  • 4
  • 2
  • Vapor or sublimation pressure, kPa ; Gas
  • Mole fraction - 2; Liquid
  • Temperature, K; Gas
  • Gas
  • Liquid
  • Closed cell (Static) method
  • 21
  • POMD
  • 4
  • 2
  • Mole fraction - 2 ; Gas
  • Mole fraction - 2; Liquid
  • Temperature, K; Gas
  • Gas
  • Liquid
  • Chromatography
  • 21
  • POMD
  • 4
  • 2
  • Mass density, kg/m3 ; Liquid
  • Mole fraction - 2; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 11
  • POMD
  • 4
  • 2
  • Excess molar volume, m3/mol ; Liquid
  • Mole fraction - 2; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Calculated with densities of this investigation
  • 11
  • POMD
  • 4
  • 2
  • Refractive index (Na D-line) ; Liquid
  • Mole fraction - 2; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 11
  • POMD
  • 4
  • 3
  • Vapor or sublimation pressure, kPa ; Gas
  • Mole fraction - 3; Liquid
  • Temperature, K; Gas
  • Gas
  • Liquid
  • Closed cell (Static) method
  • 21
  • POMD
  • 4
  • 3
  • Mole fraction - 3 ; Gas
  • Mole fraction - 3; Liquid
  • Temperature, K; Gas
  • Gas
  • Liquid
  • Chromatography
  • 21
  • POMD
  • 4
  • 3
  • Mass density, kg/m3 ; Liquid
  • Mole fraction - 3; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 11
  • POMD
  • 4
  • 3
  • Excess molar volume, m3/mol ; Liquid
  • Mole fraction - 3; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Calculated with densities of this investigation
  • 11
  • POMD
  • 4
  • 3
  • Refractive index (Na D-line) ; Liquid
  • Mole fraction - 3; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 11