Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Experimental determination and theoretical modeling of the vapor-liquid equilibrium and surface tensions of hexane + tetrahydro-2H-pyran

Mejia, A.[Andres], Segura, H.[Hugo], Cartes, M.[Marcela], Perez-Correa, J. R.[Jose. R.]
Fluid Phase Equilib. 2012, 316, 55-65
ABSTRACT
Isobaric vapor-liquid equilibrium (VLE) data have been measured for the binary system hexane + tetrahydro-2H-pyran at 50, 75, and 94 kPa and over the temperature range 321 to 358 K using a vapor-liquid equilibrium still with circulation of both phases. Atmospheric surface tension data have been also determined at 303.15 K using a maximum bubble pressure tensiometer. Experimental results show that the mixture is zeotropic and exhibits slight positive deviation from ideal behavior over the experimental range. Surface tensions, in turn, exhibit negative deviation from the linear behavior. The VLE data of the binary mixture satisfy the Fredenlund s consistency test and were well-correlated by the Wohl, nonrandom two-liquid (NRTL), Wilson, and universal quasichemical (UNIQUAC) equations. The dependence of surface tensions on mole fraction was satisfactorily smoothed using the Redlich-Kister equation. The experimental VLE and surface tension data were accurately predicted by applying the square gradient theory to the Peng-Robinson Stryjek-Vera equation of state (EoS), appropriately extended to mixtures with a modified Huron-Vidal mixing rule. This theoretical model was also applied to describe the surface activity of species along the interfacial region, from which it was concluded that hexane presents interfacial accumulation and, therefore, a positive relative Gibbs adsorption isotherm on THP.
Compounds
# Formula Name
1 C6H14 hexane
2 C5H10O tetrahydropyran
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
  • Refractive index (Na D-line) ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Standard Abbe refractometry
  • 1
  • POMD
  • 1
  • Boiling temperature at pressure P, K ; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 1
  • POMD
  • 1
  • 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
  • 2
  • Boiling temperature at pressure P, K ; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 1
  • POMD
  • 2
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 1
  • POMD
  • 2
  • Surface tension liquid-gas, N/m ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Maximal bubble pressure
  • 11
  • POMD
  • 1
  • 2
  • Surface tension liquid-gas, N/m ; Liquid
  • Mole fraction - 1; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Maximal bubble pressure
  • 13
  • POMD
  • 1
  • 2
  • Boiling temperature at pressure P, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 63
  • POMD
  • 1
  • 2
  • Mole fraction - 1 ; Gas
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Gas
  • Liquid
  • Chromatography
  • 63