ABSTRACT

The (liquid + liquid) equilibrium (LLE) data are vital for the liquid extraction of cresols from aqueous solution with 2-pentanone as an extraction agent. Therefore, the ternary LLE data for {2-pentanone + o-cresol, m-cresol or p-cresol + water} were determined at T = (298.15 and 323.15) K and p = 101.3 kPa. And the reliability of the LLE data was ascertained by using the Othmer-Tobias and Hand equations. The distribution coefficients and separation factors were calculated to evaluate the effectiveness of extracting cresols from water. The thermodynamic NRTL and UNIQUAC models were used to correlate the experimental LLE data of the studied systems, and the binary interaction parameter values were obtained from the data correlation.

Compounds

#	Formula	Name
1	C7H8O	2-methylphenol
2	C7H8O	3-methylphenol
3	C7H8O	4-methylphenol
4	C5H10O	pentan-2-one
5	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 4 5	Mass fraction - 1 ; Liquid mixture 2 Mass fraction - 1 ; Liquid mixture 1 Mass fraction - 4 ; Liquid mixture 1	Temperature, K; Liquid mixture 1 Mass fraction - 4; Liquid mixture 2	Pressure, kPa; Liquid mixture 2	Liquid mixture 2 Liquid mixture 1	Chromatography Chromatography Chromatography	18
POMD	4 2 5	Mass fraction - 2 ; Liquid mixture 2 Mass fraction - 2 ; Liquid mixture 1 Mass fraction - 4 ; Liquid mixture 1	Temperature, K; Liquid mixture 1 Mass fraction - 4; Liquid mixture 2	Pressure, kPa; Liquid mixture 2	Liquid mixture 2 Liquid mixture 1	Chromatography Chromatography Chromatography	18
POMD	3 4 5	Mass fraction - 3 ; Liquid mixture 2 Mass fraction - 3 ; Liquid mixture 1 Mass fraction - 4 ; Liquid mixture 1	Temperature, K; Liquid mixture 1 Mass fraction - 4; Liquid mixture 2	Pressure, kPa; Liquid mixture 2	Liquid mixture 2 Liquid mixture 1	Chromatography Chromatography Chromatography	18
POMD	4 5	Mass fraction - 4 ; Liquid mixture 2	Temperature, K; Liquid mixture 1	Pressure, kPa; Liquid mixture 2	Liquid mixture 2 Liquid mixture 1	Chromatography	2
POMD	4 5	Mass fraction - 4 ; Liquid mixture 1	Temperature, K; Liquid mixture 1	Pressure, kPa; Liquid mixture 2	Liquid mixture 1 Liquid mixture 2	Chromatography	2
POMD	1 5	Mass fraction - 1 ; Liquid mixture 2	Temperature, K; Liquid mixture 1	Pressure, kPa; Liquid mixture 2	Liquid mixture 2 Liquid mixture 1	Chromatography	2
POMD	1 5	Mass fraction - 1 ; Liquid mixture 1	Temperature, K; Liquid mixture 1	Pressure, kPa; Liquid mixture 2	Liquid mixture 1 Liquid mixture 2	Chromatography	2
POMD	2 5	Mass fraction - 2 ; Liquid mixture 2	Temperature, K; Liquid mixture 1	Pressure, kPa; Liquid mixture 2	Liquid mixture 2 Liquid mixture 1	Chromatography	2
POMD	2 5	Mass fraction - 2 ; Liquid mixture 1	Temperature, K; Liquid mixture 1	Pressure, kPa; Liquid mixture 2	Liquid mixture 1 Liquid mixture 2	Chromatography	2
POMD	3 5	Mass fraction - 3 ; Liquid mixture 2	Temperature, K; Liquid mixture 1	Pressure, kPa; Liquid mixture 2	Liquid mixture 2 Liquid mixture 1	Chromatography	2
POMD	3 5	Mass fraction - 3 ; Liquid mixture 1	Temperature, K; Liquid mixture 1	Pressure, kPa; Liquid mixture 2	Liquid mixture 1 Liquid mixture 2	Chromatography	2

Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Measurement and thermodynamic modeling of ternary (liquid + liquid) equilibrium for extraction of o-cresol, m-cresol or p-cresol from aqueous solution with 2-pentanone

Chen, Y.[Yun], Lv, R.[Ran], Li, L.[Libo], Wang, F.[Furong]

ABSTRACT