ABSTRACT

Liquid -iquid equilibrium (LLE) data for the (water + phosphoric acid + n-hexyl acetate or cyclohexyl acetate) ternary systems were determined at T = (298.15, 308.15 and 318.15) K and p = 101.3 kPa. The cloud point method was used to obtain the solubility and the Karl-Fischer, acidimetric titration, and refractive index methods were used to determine the tie-line values. Both the ternary systems exhibit type-1 behavior of LLE. The experimental values were regressed and acceptably correlated using the UNIQUAC and NRTL models. The reliability of the experimental tie lines was confirmed using the Othmer Tobias plot. Experimental distribution coefficients and separation factors were fitted using the Kamlet Taft LSER model. The influence of temperature on the biphasic area and separation factor was found to be minor. As a result, both the esters are suitable separating agents for aqueous phosphoric acid mixtures.

Compounds

#	Formula	Name
1	C8H16O2	hexyl ethanoate
2	C8H14O2	cyclohexyl ethanoate
3	H2O	water
4	H3O4P	phosphoric acid

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	1 4 3	Mass fraction - 4 ; Liquid mixture 1	Temperature, K; Liquid mixture 1 Mass fraction - 3; Liquid mixture 1	Pressure, kPa; Liquid mixture 1	Liquid mixture 1 Liquid mixture 2	Titration method	60
POMD	1 4 3	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	Titration method Titration method Titration method	18
POMD	2 4 3	Mass fraction - 4 ; Liquid mixture 1	Temperature, K; Liquid mixture 1 Mass fraction - 3; Liquid mixture 1	Pressure, kPa; Liquid mixture 1	Liquid mixture 1 Liquid mixture 2	Titration method	60
POMD	2 4 3	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	Titration method Titration method Titration method	18
POMD	1 3	Mass fraction - 3 ; Liquid mixture 1	Temperature, K; Liquid mixture 1	Pressure, kPa; Liquid mixture 1	Liquid mixture 1 Liquid mixture 2	Titration method	6
POMD	2 3	Mass fraction - 3 ; Liquid mixture 1	Temperature, K; Liquid mixture 1	Pressure, kPa; Liquid mixture 1	Liquid mixture 1 Liquid mixture 2	Titration method	6
POMD	4 3	Mass density, kg/m3 ; Liquid	Mass fraction - 4; Liquid Pressure, kPa; Liquid Temperature, K; Liquid		Liquid	Vibrating tube method	1
POMD	4 3	Refractive index (Na D-line) ; Liquid	Mass fraction - 4; Liquid Pressure, kPa; Liquid Temperature, K; Liquid		Liquid	Standard Abbe refractometry	1

Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Liquid-liquid equilibria study of the (water + phosphoric acid + hexyl or cyclohexyl acetate) systems at T = (298.15, 308.15, and 318.15) K: Measurement and thermodynamic modelling

Ghanadzadeh Gilani, A., Ghanadzadeh Gilani, H., Shekarsaraee, S., Nasiri-Touli, E., Seyed Saadat, S. L.

ABSTRACT