ABSTRACT

For separation of the mixtures cyclohexanone and alcohols by distillation, the isobaric vapor-liquid equilibrium (VLE) data for the systems cyclohexanone + (ethanol / n-propanol / isopropanol) were measured at 101.3 kPa by an improved Rose still. The consistency of the experimental VLE data was validated by the Herington, van Ness and pure component consistency test. The NRTL, UNIQUAC and Wilson activity coefficient models were applied to correlate the experimental data, and the binary interaction parameters of the three models were optimized. For comparison, the UNIFAC and COSMO-SAC models were also employed to predict the vapor-liquid equilibrium data for the systems. The predicted results by the UNIFAC and COSMO-SAC models were in an agreement with the experimental VLE data.

Compounds

#	Formula	Name
1	C6H10O	cyclohexanone
2	C2H6O	ethanol
3	C3H8O	propan-1-ol
4	C3H8O	propan-2-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	1	Vapor or sublimation pressure, kPa ; Liquid	Temperature, K; 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	Refractive index (Na D-line) ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Standard Abbe refractometry	1
POMD	2	Vapor or sublimation pressure, kPa ; Liquid	Temperature, K; Liquid		Liquid Gas	Ebulliometric method (Recirculating still)	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	3	Vapor or sublimation pressure, kPa ; Liquid	Temperature, K; Liquid		Liquid Gas	Ebulliometric method (Recirculating still)	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	4	Vapor or sublimation pressure, kPa ; Liquid	Temperature, K; Liquid		Liquid Gas	Ebulliometric method (Recirculating still)	1
POMD	1 2	Boiling temperature at pressure P, K ; Liquid	Mole fraction - 1; Liquid	Pressure, kPa; Liquid	Liquid Gas	Ebulliometric method (Recirculating still)	16
POMD	1 2	Mole fraction - 1 ; Gas	Mole fraction - 1; Liquid	Pressure, kPa; Liquid	Gas Liquid	Chromatography	16
POMD	1 3	Boiling temperature at pressure P, K ; Liquid	Mole fraction - 1; Liquid	Pressure, kPa; Liquid	Liquid Gas	Ebulliometric method (Recirculating still)	16
POMD	1 3	Mole fraction - 1 ; Gas	Mole fraction - 1; Liquid	Pressure, kPa; Liquid	Gas Liquid	Chromatography	16
POMD	1 4	Boiling temperature at pressure P, K ; Liquid	Mole fraction - 1; Liquid	Pressure, kPa; Liquid	Liquid Gas	Ebulliometric method (Recirculating still)	16
POMD	1 4	Mole fraction - 1 ; Gas	Mole fraction - 1; Liquid	Pressure, kPa; Liquid	Gas Liquid	Chromatography	16

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

Isobaric Vapor-Liquid Phase Equilibrium Measurements, Correlation, and Prediction for Separation of the Mixtures of Cyclohexanone and Alcohols

Zhang, Kai, Xu, Dongmei, Zhou, Yunpeng, Shi, Puyun, Gao, Jun, Wang, Yinglong

ABSTRACT