ABSTRACT

Liquid liquid equilibrium (LLE) data for three ternary systems consisting of {n-heptane or n-hexane or cyclohexane (1) + toluene (2) + -butyrolactone (3)} were measured at 298.2K and atmospheric pressure. The reliability of the experimental tie-line data was verified by using the Othmer Tobias correlation. Distribution coefficients, separation factors and selectivity were evaluated for the immiscibility region. The experimental tie-line data were correlated by the UNIQUAC equation and also predicted with the UNIFAC model. The calculated results were compared with the experimental data. Better agreement with the experimental data was obtained by the UNIQUAC equation. The UNIFAC model does not provide reasonable correlations.

Compounds

#	Formula	Name
1	C7H8	toluene
2	C7H16	heptane
3	C6H14	hexane
4	C6H12	cyclohexane
5	C4H6O2	.gamma.-butyrolactone

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	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	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	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	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Vibrating tube method	1
POMD	5	Refractive index (Na D-line) ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Standard Abbe refractometry	1
POMD	5	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Vibrating tube method	1
POMD	5 2	Mass fraction - 2 ; Liquid mixture 1		Temperature, K; Liquid mixture 1 Pressure, kPa; Liquid mixture 1	Liquid mixture 1 Liquid mixture 2	Chromatography	2
POMD	5 3	Mass fraction - 3 ; Liquid mixture 1		Temperature, K; Liquid mixture 1 Pressure, kPa; Liquid mixture 1	Liquid mixture 1 Liquid mixture 2	Chromatography	2
POMD	5 4	Mass fraction - 4 ; Liquid mixture 1		Temperature, K; Liquid mixture 1 Pressure, kPa; Liquid mixture 1	Liquid mixture 1 Liquid mixture 2	Chromatography	2
POMD	5 1 3	Mass fraction - 1 ; Liquid mixture 1	Mass fraction - 3; Liquid mixture 1	Pressure, kPa; Liquid mixture 1 Temperature, K; Liquid mixture 1	Liquid mixture 1 Liquid mixture 2	Chromatography	10
POMD	5 1 3	Mass fraction - 5 ; Liquid mixture 1 Mass fraction - 1 ; Liquid mixture 2 Mass fraction - 5 ; Liquid mixture 2 Mass fraction - 1 ; Liquid mixture 1 Mass fraction - 3 ; Liquid mixture 2	Mass fraction - 3; Liquid mixture 1	Temperature, K; Liquid mixture 1 Pressure, kPa; Liquid mixture 2	Liquid mixture 1 Liquid mixture 2	Chromatography Chromatography Chromatography Chromatography Chromatography	6
POMD	5 1 2	Mass fraction - 1 ; Liquid mixture 1	Mass fraction - 2; Liquid mixture 1	Pressure, kPa; Liquid mixture 1 Temperature, K; Liquid mixture 1	Liquid mixture 1 Liquid mixture 2	Chromatography	14
POMD	5 1 2	Mass fraction - 5 ; Liquid mixture 1 Mass fraction - 1 ; Liquid mixture 2 Mass fraction - 5 ; Liquid mixture 2 Mass fraction - 1 ; Liquid mixture 1 Mass fraction - 2 ; Liquid mixture 2	Mass fraction - 2; Liquid mixture 1	Temperature, K; Liquid mixture 1 Pressure, kPa; Liquid mixture 2	Liquid mixture 1 Liquid mixture 2	Chromatography Chromatography Chromatography Chromatography Chromatography	6
POMD	5 1 4	Mass fraction - 1 ; Liquid mixture 1	Mass fraction - 4; Liquid mixture 1	Pressure, kPa; Liquid mixture 1 Temperature, K; Liquid mixture 1	Liquid mixture 1 Liquid mixture 2	Chromatography	9
POMD	5 1 4	Mass fraction - 5 ; Liquid mixture 1 Mass fraction - 1 ; Liquid mixture 2 Mass fraction - 5 ; Liquid mixture 2 Mass fraction - 1 ; Liquid mixture 1 Mass fraction - 4 ; Liquid mixture 2	Mass fraction - 4; Liquid mixture 1	Temperature, K; Liquid mixture 1 Pressure, kPa; Liquid mixture 2	Liquid mixture 1 Liquid mixture 2	Chromatography Chromatography Chromatography Chromatography Chromatography	6

Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Liquid phase equilibria for mixtures of (an aliphatic hydrocarbon + toluene + gamma-butyrolactone)

Sevgili, L. M.[Lutfullah Muhammed]

ABSTRACT