ABSTRACT

The liquid-liquid equilibrium (LLE) data for the ternary systems of ethyl acetate + 2,2,3,3-tetrafluoro-1- propanol + water and isopropyl acetate + 2,2,3,3-tetrafluoro-1-propanol + water were measured at T = 298.15 K and T = 318.15 K under 101.3 kPa. Bachman and Hand equations were selected to check and confirm the reliability of the measured tie-line data, and the correlation coefficient (R2) were all close to 1. Meanwhile, the distribution coefficient and separation factor were calculated and discussed in detail. In addition, the nonrandom two-liquid (NRTL) and universal quasi-chemical (UNIQUAC) activity coefficient models were applied to correlate the experimental data, and the RMSD values for the two models obtained are 0.0104, 0.0104 correlated by NRTL, and 0.0077, 0.0128 by UNIQUAC, respectively, which indicate that the experimental LLE data can be successfully correlated by both the NRTL and the UNIQUAC models. Also, the corresponding binary interaction parameters were regressed. The correlated model parameters could be applied for the optimization and design of the separation process.

Compounds

#	Formula	Name
1	C3H4F4O	2,2,3,3-tetrafluoro-1-propanol
2	C4H8O2	ethyl acetate
3	C5H10O2	1-methylethyl ethanoate
4	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	2	Refractive index (Na D-line) ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Standard Abbe refractometry	1
POMD	3	Refractive index (Na D-line) ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Standard Abbe refractometry	1
POMD	1 2 4	Mole fraction - 2 ; Liquid mixture 2 Mole fraction - 1 ; Liquid mixture 1 Mole fraction - 2 ; Liquid mixture 1	Temperature, K; Liquid mixture 1 Mole fraction - 1; Liquid mixture 2	Pressure, kPa; Liquid mixture 2	Liquid mixture 2 Liquid mixture 1	Chromatography Chromatography Chromatography	22
POMD	1 3 4	Mole fraction - 3 ; Liquid mixture 2 Mole fraction - 1 ; Liquid mixture 1 Mole fraction - 3 ; Liquid mixture 1	Temperature, K; Liquid mixture 1 Mole fraction - 1; Liquid mixture 2	Pressure, kPa; Liquid mixture 2	Liquid mixture 2 Liquid mixture 1	Chromatography Chromatography Chromatography	15
POMD	2 4	Mole fraction - 2 ; Liquid mixture 2	Temperature, K; Liquid mixture 1	Pressure, kPa; Liquid mixture 2	Liquid mixture 2 Liquid mixture 1	Chromatography	2
POMD	2 4	Mole fraction - 2 ; Liquid mixture 1	Temperature, K; Liquid mixture 1	Pressure, kPa; Liquid mixture 2	Liquid mixture 1 Liquid mixture 2	Chromatography	2
POMD	3 4	Mole fraction - 3 ; Liquid mixture 2	Temperature, K; Liquid mixture 1	Pressure, kPa; Liquid mixture 2	Liquid mixture 2 Liquid mixture 1	Chromatography	2
POMD	3 4	Mole fraction - 3 ; Liquid mixture 1	Temperature, K; Liquid mixture 1	Pressure, kPa; Liquid mixture 2	Liquid mixture 1 Liquid mixture 2	Chromatography	2

Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Liquid-liquid equilibrium for ternary systems of ethyl acetate/isopropyl acetate + 2,2,3,3-tetrafluoro-1-propanol + water at 298.15, 318.15 K

Xu, D.[Dongmei], Zhang, L.[Lianzheng], Gao, J.[Jun], Pratik, D.[Dhakal], Zhao, L.[Liwen], Cui, Z.[Zhifang]

ABSTRACT