ABSTRACT

Liquid liquid equilibrium (LLE) data of water + butyric acid + {butanal or n-butanol} ternary systems were determined at T = 293.15, 308.15, and 323.15 K and p = 0.1 MPa. The ternary systems investigated display Type I behavior of LLE. Nonrandom two-liquid (NRTL) and universal quasichemical (UNIQUAC) activity coefficient models were applied here to fit the experimental results, and the root-mean-square deviations (RMSD) between experimental data and calculated ones were considered in the calculation. The results indicated that the LLE data were well-fitted with both models, in which the RMSD were less than 0.0124. Moreover, solute and diluent compositions in each equilibrium phase were used to calculate the distribution coefficient (D) and the selectivity (S).

Compounds

#	Formula	Name
1	H2O	water
2	C4H8O2	butanoic acid
3	C4H8O	butanal
4	C4H10O	butan-1-ol

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	4	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	2 3 1	Mass fraction - 2 ; Liquid mixture 1 Mass fraction - 3 ; Liquid mixture 2 Mass fraction - 2 ; Liquid mixture 2	Temperature, K; Liquid mixture 2 Mass fraction - 3; Liquid mixture 1	Pressure, kPa; Liquid mixture 2	Liquid mixture 1 Liquid mixture 2	Chromatography Chromatography Chromatography	24
POMD	4 2 1	Mass fraction - 4 ; Liquid mixture 1 Mass fraction - 4 ; Liquid mixture 2 Mass fraction - 2 ; Liquid mixture 2	Temperature, K; Liquid mixture 2 Mass fraction - 2; Liquid mixture 1	Pressure, kPa; Liquid mixture 2	Liquid mixture 1 Liquid mixture 2	Chromatography Chromatography Chromatography	24
POMD	3 1	Mass fraction - 3 ; Liquid mixture 1	Temperature, K; Liquid mixture 2	Pressure, kPa; Liquid mixture 2	Liquid mixture 1 Liquid mixture 2	Chromatography	3
POMD	3 1	Mass fraction - 3 ; Liquid mixture 2	Temperature, K; Liquid mixture 2	Pressure, kPa; Liquid mixture 2	Liquid mixture 2 Liquid mixture 1	Chromatography	3
POMD	4 1	Mass fraction - 4 ; Liquid mixture 1	Temperature, K; Liquid mixture 2	Pressure, kPa; Liquid mixture 2	Liquid mixture 1 Liquid mixture 2	Chromatography	3
POMD	4 1	Mass fraction - 4 ; Liquid mixture 2	Temperature, K; Liquid mixture 2	Pressure, kPa; Liquid mixture 2	Liquid mixture 2 Liquid mixture 1	Chromatography	3

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

Liquid Liquid Equilibrium Data of Water + Butyric Acid + {Butanal or n-Butanol} Ternary Systems at 293.15, 308.15, and 323.15 K

Yu, C.[Chao], Wu, S.[Shutian], Zhao, Y.[Yang], Zeng, Z.-X.[Zuo-Xiang], Xue, W.-L.[Wei-Lan]

ABSTRACT