ABSTRACT

Liquid-liquid equilibriua (LLE) for the ternary system water + acetic acid + cyclohexanone was studied at (293.2 to 323.2) K and at atmospheric pressure. The immiscibility region was found to be relatively small and not sensitive to the change of temperature. The Othmer-Tobias equation and the Bachman equation were both used to check the reliability of the obtained experimental tie-line data. The experimental results were correlated with both the NRTL and the UNIQUAC activity coefficient models. The calculated results showed good agreement with the experimentally determined ternary LLE data. The root mean square deviations (RMSD) obtained comparing calculated and experimental two-phase compositions are 0.72 % for the UNIQUAC model and 0.40% for the NRTL model. The obtained interaction parameters can be used in the calculation of LLE for the ternary system water + acetic acid + cyclohexanone as well as for the design and optimization of the related separation process.

Compounds

#	Formula	Name
1	C2H4O2	acetic acid
2	C6H10O	cyclohexanone
3	H2O	water

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 2 3	Mole fraction - 1 ; Liquid mixture 1 Mole fraction - 2 ; Liquid mixture 2 Mole fraction - 1 ; Liquid mixture 2	Temperature, K; Liquid mixture 2 Mole fraction - 2; Liquid mixture 1	Pressure, kPa; Liquid mixture 2	Liquid mixture 1 Liquid mixture 2	Chromatography Chromatography Chromatography	20

Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Liquid-liquid equilibria for ternary system water + acetic acid+ cyclohexanone at (293.2 to 323.2) K

Lei, F.[Fuqiong], Wang, Q.[Qinbo], Gong, X.[Xing], Li, L.[Ling], Wu, Q.[Quanbing], Zhang, W.[Wenming]

ABSTRACT