ABSTRACT

Liquid liquid equilibrium (LLE) data of the solubility (binodal) curves and tie-line end compositions were examined for mixtures of {(water (1) + levulinic acid (2) + dimethyl succinate or dimethyl glutarate or dimethyl adipate (3)} at 298.15K and 101.3+-0.7 kPa. The reliability of the experimental tie-line data was confirmed by using the Othmer Tobias correlation. The LLE data of the ternary systems were predicted by UNIFAC method. The LLE data were correlated fairly well with UNIQUAC and NRTL models, indicating the reliability of the UNIQUAC and NRTL equations for these ternary systems. The best results were achieved with the NRTL equation, using non-randomness parameter (^2= 0.3) for the correlation. Distribution coefficients and separation factors were measured to evaluate the extracting capability of the solvents.

Compounds

#	Formula	Name
1	C5H8O3	4-oxopentanoic acid
2	C6H10O4	dimethyl 1,4-butanedioate
3	C7H12O4	dimethyl pentanedioate
4	C8H14O4	dimethyl 1,6-hexanedioate
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	Refractive index (Na D-line) ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Standard Abbe refractometry	1
POMD	1	Boiling temperature at pressure P, K ; Liquid	Pressure, kPa; Liquid		Liquid Gas	Manometric method	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	Boiling temperature at pressure P, K ; Liquid	Pressure, kPa; Liquid		Liquid Gas	Manometric method	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	Boiling temperature at pressure P, K ; Liquid	Pressure, kPa; Liquid		Liquid Gas	Manometric method	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	Boiling temperature at pressure P, K ; Liquid	Pressure, kPa; Liquid		Liquid Gas	Manometric method	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	Boiling temperature at pressure P, K ; Liquid	Pressure, kPa; Liquid		Liquid Gas	Manometric method	1
POMD	5	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Vibrating tube method	1
POMD	2 1 5	Mass fraction - 1 ; Liquid mixture 1	Mass fraction - 5; Liquid mixture 1	Pressure, kPa; Liquid mixture 1 Temperature, K; Liquid mixture 1	Liquid mixture 1 Liquid mixture 2	Chromatography	12
POMD	2 1 5	Mass fraction - 1 ; Liquid mixture 2 Mass fraction - 1 ; Liquid mixture 1 Mass fraction - 5 ; Liquid mixture 1	Mass fraction - 5; Liquid mixture 2	Temperature, K; Liquid mixture 1 Pressure, kPa; Liquid mixture 2	Liquid mixture 2 Liquid mixture 1	Chromatography Chromatography Chromatography	4
POMD	1 3 5	Mass fraction - 1 ; Liquid mixture 1	Mass fraction - 5; Liquid mixture 1	Pressure, kPa; Liquid mixture 1 Temperature, K; Liquid mixture 1	Liquid mixture 1 Liquid mixture 2	Chromatography	14
POMD	1 3 5	Mass fraction - 1 ; Liquid mixture 1 Mass fraction - 1 ; Liquid mixture 2 Mass fraction - 5 ; Liquid mixture 2	Mass fraction - 5; Liquid mixture 1	Temperature, K; Liquid mixture 2 Pressure, kPa; Liquid mixture 2	Liquid mixture 1 Liquid mixture 2	Chromatography Chromatography Chromatography	4
POMD	1 4 5	Mass fraction - 1 ; Liquid mixture 1	Mass fraction - 5; Liquid mixture 1	Pressure, kPa; Liquid mixture 1 Temperature, K; Liquid mixture 1	Liquid mixture 1 Liquid mixture 2	Chromatography	16
POMD	1 4 5	Mass fraction - 5 ; Liquid mixture 1 Mass fraction - 5 ; Liquid mixture 2 Mass fraction - 1 ; Liquid mixture 2	Mass fraction - 1; Liquid mixture 1	Temperature, K; Liquid mixture 2 Pressure, kPa; Liquid mixture 2	Liquid mixture 1 Liquid mixture 2	Chromatography Chromatography Chromatography	5

Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Phase equilibria of (water + levulinic acid + dibasic esters) ternary systems

Uslu, H.[Hasan], Gok, A.[Asli], Kirbaslar, S. I.

ABSTRACT