Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Characterizing second generation biofuels: Excess enthalpies and vapour-liquid equilibria of the binary mixtures containing 1-pentanol or 2-pentanol and n-hexane

Moreau, A.[Alejandro], Segovia, J. J.[Jose J.], Bermejo, M. D., Martin, M. C.
Fluid Phase Equilib. 2016, 425, 177-182
ABSTRACT
Experimental data of excess enthalpies and vapour-liquid equilibria (VLE) are reported for the binary systems (1-pentanol + n-hexane) and (2-pentanol + n-hexane). An isothermal flow calorimeter was used to determine excess enthalpies at T = (298.15 and 313.15) K and the results were fitted using Redlich-Kister equation. Vapour-liquid equilibria data were measured using an isothermal total pressure cell at T = 313.15 K. Barker's method allows to correlate these data using Margules, Wilson, NRTL and UNIQUAC equations. An endothermic behavior is observed when 1-pentanol or 2-pentanol is mixed with n-hexane whose effect increases at higher temperatures and both systems present a positive deviation from the Raoult's law.
Compounds
# Formula Name
1 C5H12O pentan-1-ol
2 C5H12O pentan-2-ol
3 C6H14 hexane
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
  • 1
  • POMD
  • 2
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 1
  • POMD
  • 3
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 1
  • POMD
  • 1
  • 3
  • Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Flow calorimetry
  • 42
  • POMD
  • 1
  • 3
  • Vapor or sublimation pressure, kPa ; Gas
  • Mole fraction - 1; Liquid
  • Temperature, K; Gas
  • Gas
  • Liquid
  • Closed cell (Static) method
  • 26
  • POMD
  • 3
  • 2
  • Excess molar enthalpy (molar enthalpy of mixing), kJ/mol ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Flow calorimetry
  • 42
  • POMD
  • 3
  • 2
  • Vapor or sublimation pressure, kPa ; Gas
  • Mole fraction - 2; Liquid
  • Temperature, K; Gas
  • Gas
  • Liquid
  • Closed cell (Static) method
  • 26