ABSTRACT

In this work, liquid-liquid equilibrium (LLE) data for the ternary systems (water + propionic acid + solvent) were experimentally obtained at atmospheric pressure and 298.2 K. The ternary systems show type-1 behavior of LLE. Cyclopentane, cyclopentanol, 2- octanone and dibutyl maleate were chosen as solvent and it has been noted that there are no data in the literature on these ternary systems. The consistency of the experimental tieline data was checked using the Hand and Othmer-Tobias correlation equations. A comparison of the extracting capabilities of the solvent was made with respect to the distribution coefficients and separation factors. The correlation of the experimental tieline data was confirmed by the NRTL thermodynamic model. A Group Method of Data Handling (GMDH) type-neural network (NN) was also used to correlate the experimental tie-lines. It is shown that, the results of the both models are cohere with the experimental values.

Compounds

#	Formula	Name
1	C3H6O2	propanoic acid
2	C5H10	cyclopentane
3	C5H10O	cyclopentanol
4	C8H16O	2-octanone
5	C12H20O4	dibutyl cis-butendioate
6	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	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	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	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	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	5	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	1 2 6	Mole fraction - 1 ; Liquid mixture 1	Mole fraction - 6; Liquid mixture 1	Temperature, K; Liquid mixture 1 Pressure, kPa; Liquid mixture 1	Liquid mixture 1 Liquid mixture 2	Titration method	15
POMD	1 2 6	Mole fraction - 6 ; Liquid mixture 1 Mole fraction - 6 ; Liquid mixture 2 Mole fraction - 1 ; Liquid mixture 2	Mole fraction - 1; Liquid mixture 1	Temperature, K; Liquid mixture 2 Pressure, kPa; Liquid mixture 2	Liquid mixture 1 Liquid mixture 2	Chromatography Chromatography Chromatography	10
POMD	1 3 6	Mole fraction - 1 ; Liquid mixture 1	Mole fraction - 6; Liquid mixture 1	Temperature, K; Liquid mixture 1 Pressure, kPa; Liquid mixture 1	Liquid mixture 1 Liquid mixture 2	Titration method	13
POMD	1 3 6	Mole fraction - 1 ; Liquid mixture 1 Mole fraction - 1 ; Liquid mixture 2 Mole fraction - 6 ; Liquid mixture 2	Mole fraction - 6; Liquid mixture 1	Temperature, K; Liquid mixture 2 Pressure, kPa; Liquid mixture 2	Liquid mixture 1 Liquid mixture 2	Chromatography Chromatography Chromatography	6
POMD	1 4 6	Mole fraction - 1 ; Liquid mixture 1	Mole fraction - 6; Liquid mixture 1	Temperature, K; Liquid mixture 1 Pressure, kPa; Liquid mixture 1	Liquid mixture 1 Liquid mixture 2	Titration method	15
POMD	1 4 6	Mole fraction - 1 ; Liquid mixture 1 Mole fraction - 1 ; Liquid mixture 2 Mole fraction - 6 ; Liquid mixture 2	Mole fraction - 6; Liquid mixture 1	Temperature, K; Liquid mixture 2 Pressure, kPa; Liquid mixture 2	Liquid mixture 1 Liquid mixture 2	Chromatography Chromatography Chromatography	9
POMD	1 5 6	Mole fraction - 1 ; Liquid mixture 1	Mole fraction - 6; Liquid mixture 1	Temperature, K; Liquid mixture 1 Pressure, kPa; Liquid mixture 1	Liquid mixture 1 Liquid mixture 2	Titration method	14
POMD	1 5 6	Mole fraction - 1 ; Liquid mixture 2 Mole fraction - 1 ; Liquid mixture 1 Mole fraction - 6 ; Liquid mixture 1	Mole fraction - 6; Liquid mixture 2	Temperature, K; Liquid mixture 2 Pressure, kPa; Liquid mixture 2	Liquid mixture 2 Liquid mixture 1	Chromatography Chromatography Chromatography	8
POMD	2 6	Mole fraction - 6 ; Liquid mixture 1		Temperature, K; Liquid mixture 1 Pressure, kPa; Liquid mixture 1	Liquid mixture 1 Liquid mixture 2	Titration method	2
POMD	3 6	Mole fraction - 6 ; Liquid mixture 1		Temperature, K; Liquid mixture 1 Pressure, kPa; Liquid mixture 1	Liquid mixture 1 Liquid mixture 2	Titration method	2
POMD	4 6	Mole fraction - 6 ; Liquid mixture 1		Temperature, K; Liquid mixture 1 Pressure, kPa; Liquid mixture 1	Liquid mixture 1 Liquid mixture 2	Titration method	2
POMD	5 6	Mole fraction - 6 ; Liquid mixture 1	Temperature, K; Liquid mixture 1 Pressure, kPa; Liquid mixture 1		Liquid mixture 1 Liquid mixture 2	Titration method	1

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

Correlation of Experimental Liquid Liquid Equilibrium Data for Ternary Systems Using NRTL and GMDH-Type Neural Network

Bekri, S.[Sezin], Ozmen, D.[Dilek], Ozmen, A.[Atilla]

ABSTRACT