ABSTRACT

Phase equilibria of the system (water + phosphoric acid + propylene carbonate) were investigated and experimental data for liquid-liquid equilibrium (LLE) were obtained at T = (298.2, 308.2 and 318.2) K and atmospheric pressure. Type-1 was demonstrated for the LLE ternary mixture. Phase relocation was observed in high phosphoric acid concentration at every temperature and critical densities were calculated. The UNIQUAC and NRTL thermodynamic models were applied to correlate the experimental tie-line results. The Othmer Tobias and Hand equations confirmed that the experimental tie-line points were reliable. Distribution coefficients and separation factors were determined over the biphasic area. The effect of temperature on the solubility curves and distribution coefficients was found to be observable at the temperatures studied. The average rmsd (root mean square deviation) values between the experimental and calculated mass fractions were 0.89% and 2.73% for the UNIQUAC and NRTL models, respectively. The models produced values close to those of the experimental tie-lines.

Compounds

#	Formula	Name
1	C4H6O3	4-methyl-1,3-dioxolan-2-one
2	H3O4P	phosphoric acid
3	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	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 2 3	Mass fraction - 2 ; 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	42
POMD	1 2 3	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Mass fraction - 3; Liquid Mass fraction - 2; Liquid	Pressure, kPa; Liquid	Liquid	Vibrating tube method	36
POMD	1 2 3	Mass fraction - 2 ; Liquid mixture 2 Mass fraction - 2 ; Liquid mixture 1 Mass fraction - 3 ; Liquid mixture 1	Temperature, K; Liquid mixture 1 Mass fraction - 3; 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 density, kg/m3 ; Liquid	Mass fraction - 2; Liquid Pressure, kPa; Liquid Temperature, K; Liquid		Liquid	Vibrating tube method	1
POMD	2 3	Refractive index (Na D-line) ; Liquid	Mass fraction - 2; Liquid Pressure, kPa; Liquid Temperature, K; Liquid		Liquid	Standard Abbe refractometry	1

Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Liquid-liquid equilibrium study for the system (water + phosphoric acid + propylene carbonate) at different temperatures

Shekarsaraee, S.[Sina]

ABSTRACT