Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Evaluation of (vapor + liquid) equilibria for the binary systems (1-octanol + cyclohexane) and (1-octanol + n-hexane), at low alcohol compositions

Ovejero, G.[Gabriel], Romero, M. D., Diez, E.[Eduardo], Lopes, T.[Tania], Diaz, I.[Ismael]
J. Chem. Thermodyn. 2008, 40, 11, 1617-1620
ABSTRACT
Isobaric (vapor + liquid) equilibrium at p = 101.32 kPa of pressure has been determined for the systems (1-octanol + cyclohexane) and (1-octanol + n-hexane), at low alcohol mole fractions. These data were satisfactorily correlated, using ASPEN PLUS commercial software, with Wilson, NRTL, and UNIQUAC activity coefficient models to obtain the binary interaction parameters of both mixtures. Also, UNIFAC group contribution method was employed to predict the equilibrium of both mixtures. With regression values an accurate knowledge of (vapor + liquid) equilibrium for both mixtures can be reached in a range of 1-octanol mole fractions less than 0.1. UNIFAC method provides acceptable results for (1-octanol + n-hexane) system but not for (1-octanol + cyclohexane) system.
Compounds
# Formula Name
1 C6H12 cyclohexane
2 C6H14 hexane
3 C8H18O octan-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
  • 3
  • Boiling temperature at pressure P, K ; Gas
  • Mole fraction - 3; Liquid
  • Pressure, kPa; Gas
  • Gas
  • Liquid
  • Ebulliometric method (Recirculating still)
  • 9
  • POMD
  • 1
  • 3
  • Mole fraction - 3 ; Gas
  • Mole fraction - 3; Liquid
  • Pressure, kPa; Gas
  • Gas
  • Liquid
  • CHROM:UFactor:4
  • 9
  • POMD
  • 2
  • 3
  • Boiling temperature at pressure P, K ; Gas
  • Mole fraction - 3; Liquid
  • Pressure, kPa; Gas
  • Gas
  • Liquid
  • Ebulliometric method (Recirculating still)
  • 14
  • POMD
  • 2
  • 3
  • Mole fraction - 3 ; Gas
  • Mole fraction - 3; Liquid
  • Pressure, kPa; Gas
  • Gas
  • Liquid
  • CHROM:UFactor:8
  • 14