Thermodynamics Research Center / ThermoML | Journal of Chemical and Engineering Data

Vapor-Liquid Equilibria of Cyclohexanone + 2-Cyclohexen-1-one and Cyclohexanol + 2-Cyclohexen-1-one, Validated in a Packed Column Distillation.

Lorenzo, D.[David], Santos, A.[Aurora], Romero, A.[Arturo]
J. Chem. Eng. Data 2015, 60, 10, 2818-2826
ABSTRACT
The vapor liquid equilibrium (VLE) data at the constant pressure of P = 1 bar were determined for binary mixtures consisting of cyclohexanone + 2-cyclohexen-1-one and cyclohexanol + 2-cyclohexen-1-one. The thermodynamic consistency of the VLE data was verified with the Wisniak s and area tests, with positive results. Experimental VLE data were fitted to the nonrandom two-liquid (NRTL) model to obtain the NRTL binary interaction parameters for the mentioned mixtures. A good fit between experimental and predicted data was found. Finally, the binary interaction parameters obtained were validated in a steady state operation, where a ternary mixture of cyclohexanone, cyclohexanol, and 2-cyclohexen-1-one was fed to a packed distillation tower. The experimental results were satisfactorily predicted and simulated by the RadFrac block included in Aspen Plus v8.4 software. Therefore, the binary interaction predicted can be used to model the behavior of the mixture under continuous operation conditions.
Compounds
# Formula Name
1 C6H8O 2-cyclohexen-1-one
2 C6H10O cyclohexanone
3 C6H12O cyclohexanol
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
  • Ebulliometric method (Recirculating still)
  • 2
  • POMD
  • 2
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 1
  • POMD
  • 3
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 1
  • POMD
  • 2
  • 1
  • Mole fraction - 2 ; Gas
  • Temperature, K; Gas
  • Mole fraction - 2; Liquid
  • Gas
  • Liquid
  • Chromatography
  • 10
  • POMD
  • 2
  • 1
  • Boiling temperature at pressure P, K ; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 10
  • POMD
  • 3
  • 1
  • Mole fraction - 3 ; Gas
  • Temperature, K; Gas
  • Mole fraction - 3; Liquid
  • Gas
  • Liquid
  • Chromatography
  • 10
  • POMD
  • 3
  • 1
  • Boiling temperature at pressure P, K ; Liquid
  • Mole fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 10
  • POMD
  • 3
  • 2
  • Mole fraction - 3 ; Gas
  • Mole fraction - 3; Liquid
  • Pressure, kPa; Gas
  • Gas
  • Liquid
  • Chromatography
  • 9