ABSTRACT

(Liquid + liquid) equilibrium (LLE) data for {water + acrylic acid + (1-butanol, or 2-butanol, or 1- pentanol)} at T = 293.2 K, T = 303.2 K, and T = 313.2 K and atmospheric pressure ( 95 kPa) were determined by Karl Fischer titration and densimetry. All systems present type I binodal curves. The size of immiscibility region changes little with an increase in temperature, but increases according to the solvent, following the order: 2-butanol less than 1-butanol less than 1-pentanol. Values of solute distribution and solvent selectivities show that 1-pentanol is a better solvent than 1-butanol or 2-butanol for acrylic acid removal from water solutions. Quality of data was ascertain by Hand and Othmer-Tobias equations, giving R^2 greater than 0.916, mass balance and accordance between tie lines and cloud points. The NRTL model was used to correlate experimental data, by estimating new energy parameters, with root mean square deviations below 0.0053 for all systems.

Compounds

#	Formula	Name
1	H2O	water
2	C3H4O2	propenoic acid
3	C6H12O2	hexanoic acid
4	C4H10O	butan-1-ol
5	C4H10O	butan-2-ol
6	C5H12O	pentan-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	4 2 1	Mass fraction - 4 ; Liquid mixture 1	Temperature, K; Liquid mixture 1 Mass fraction - 1; Liquid mixture 1	Pressure, kPa; Liquid mixture 1	Liquid mixture 1 Liquid mixture 2	Titration method	35
POMD	4 2 1	Mole fraction - 2 ; Liquid mixture 1 Mole fraction - 2 ; Liquid mixture 2 Mole fraction - 1 ; Liquid mixture 2	Temperature, K; Liquid mixture 2 Mole fraction - 1; Liquid mixture 1	Pressure, kPa; Liquid mixture 2	Liquid mixture 1 Liquid mixture 2	Density calibration data Density calibration data Density calibration data	12
POMD	4 2 1	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Mass fraction - 1; Liquid Mass fraction - 4; Liquid	Pressure, kPa; Liquid	Liquid	Vibrating tube method	35
POMD	4 2 1	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Mole fraction - 1; Liquid Mole fraction - 2; Liquid	Pressure, kPa; Liquid	Liquid	Vibrating tube method	24
POMD	2 3 1	Mass fraction - 3 ; Liquid mixture 1	Mass fraction - 1; Liquid mixture 1	Pressure, kPa; Liquid mixture 1 Temperature, K; Liquid mixture 1	Liquid mixture 1 Liquid mixture 2	Titration method	12
POMD	2 3 1	Mole fraction - 2 ; Liquid mixture 1 Mole fraction - 2 ; 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	Density calibration data Density calibration data Density calibration data	4
POMD	2 3 1	Mass density, kg/m3 ; Liquid	Mass fraction - 1; Liquid Mass fraction - 3; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Vibrating tube method	12
POMD	2 3 1	Mass density, kg/m3 ; Liquid	Mole fraction - 1; Liquid Mole fraction - 2; Liquid	Pressure, kPa; Liquid Temperature, K; Liquid	Liquid	Vibrating tube method	8
POMD	5 2 1	Mass fraction - 5 ; Liquid mixture 1	Temperature, K; Liquid mixture 1 Mass fraction - 1; Liquid mixture 1	Pressure, kPa; Liquid mixture 1	Liquid mixture 1 Liquid mixture 2	Titration method	28
POMD	5 2 1	Mole fraction - 2 ; Liquid mixture 1 Mole fraction - 2 ; Liquid mixture 2 Mole fraction - 1 ; Liquid mixture 2	Temperature, K; Liquid mixture 2 Mole fraction - 1; Liquid mixture 1	Pressure, kPa; Liquid mixture 2	Liquid mixture 1 Liquid mixture 2	Density calibration data Density calibration data Density calibration data	17
POMD	5 2 1	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Mass fraction - 1; Liquid Mass fraction - 5; Liquid	Pressure, kPa; Liquid	Liquid	Vibrating tube method	28
POMD	5 2 1	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Mole fraction - 1; Liquid Mole fraction - 2; Liquid	Pressure, kPa; Liquid	Liquid	Vibrating tube method	34
POMD	6 2 1	Mass fraction - 6 ; Liquid mixture 1	Temperature, K; Liquid mixture 1 Mass fraction - 1; Liquid mixture 1	Pressure, kPa; Liquid mixture 1	Liquid mixture 1 Liquid mixture 2	Titration method	24
POMD	6 2 1	Mole fraction - 2 ; Liquid mixture 1 Mole fraction - 2 ; Liquid mixture 2 Mole fraction - 1 ; Liquid mixture 2	Temperature, K; Liquid mixture 2 Mole fraction - 1; Liquid mixture 1	Pressure, kPa; Liquid mixture 2	Liquid mixture 1 Liquid mixture 2	Density calibration data Density calibration data Density calibration data	13
POMD	6 2 1	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Mass fraction - 1; Liquid Mass fraction - 6; Liquid	Pressure, kPa; Liquid	Liquid	Vibrating tube method	24
POMD	6 2 1	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Mole fraction - 1; Liquid Mole fraction - 2; Liquid	Pressure, kPa; Liquid	Liquid	Vibrating tube method	26

Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

(Liquid + liquid) equilibria in {water + acrylic acid + (1-butanol, or 2-butanol, or 1-pentanol)} systems at T = 293.2 K, T = 303.2 K, and T = 313.2 K and atmospheric pressure

Batistell, M. C.[Melissa C], Alves, T. C.[Thiago C], Guadagnini, T. R.[Talita R], Oliveira, L. H. d.[Leonardo Hadlich de], Aznar, M.[Martin]

ABSTRACT