ABSTRACT

Liquid-liquid equilibrium (LLE) data are of great importance for the separation processes that are applied in the chemical industry. Cyclopentanol is a product used by many industries that may contaminate in wastewater. The purpose of this work is to obtain LLE data for cyclopentanol separation. Ternary LLE systems of water + cyclopentanol + organic solvents (MIBK, ethyl acetate, furfural or n-butanol) were investigated at T = 298.2 K as well as atmospheric pressure. The solubility and tie-line data of these ternary LLE systems were obtained by direct analysis method. The reliability of the LLE experimental results was validated by the uncertainty propagation calculation. Distribution coefficients (D) and separation factors (S) were calculated in order to evaluate the capability of organic solvents for the selective separation of cyclopentanol. Percentage separations (E) of cyclopentanol were also studied. Good correlations of the experimental LLE data with modeling results calculated by the non-random two liquid (NRTL) model were presented and confirmed by the rmsd values. The latter values were found to be less than 4 %.

Compounds

#	Formula	Name
1	H2O	water
2	C5H10O	cyclopentanol
3	C5H4O2	2-furaldehyde
4	C4H10O	butan-1-ol
5	C6H12O	4-methylpentan-2-one
6	C4H8O2	ethyl acetate

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	2	Boiling temperature at pressure P, K ; Liquid	Pressure, kPa; Liquid		Liquid Gas	Ebulliometric method (Recirculating still)	1
POMD	3	Boiling temperature at pressure P, K ; Liquid	Pressure, kPa; Liquid		Liquid Gas	Ebulliometric method (Recirculating still)	1
POMD	4	Boiling temperature at pressure P, K ; Liquid	Pressure, kPa; Liquid		Liquid Gas	Ebulliometric method (Recirculating still)	1
POMD	5	Boiling temperature at pressure P, K ; Liquid	Pressure, kPa; Liquid		Liquid Gas	Ebulliometric method (Recirculating still)	1
POMD	6	Boiling temperature at pressure P, K ; Liquid	Pressure, kPa; Liquid		Liquid Gas	Ebulliometric method (Recirculating still)	1
POMD	2 5 1	Mass fraction - 2 ; Liquid mixture 1	Mass fraction - 1; Liquid mixture 1	Temperature, K; Liquid mixture 1 Pressure, kPa; Liquid mixture 1	Liquid mixture 1 Liquid mixture 2	Titration method	11
POMD	2 5 1	Mass fraction - 1 ; Liquid mixture 2 Mass fraction - 1 ; Liquid mixture 1 Mass fraction - 2 ; Liquid mixture 1	Mass fraction - 2; Liquid mixture 2	Temperature, K; Liquid mixture 2 Pressure, kPa; Liquid mixture 1	Liquid mixture 2 Liquid mixture 1	Chromatography Chromatography Chromatography	8
POMD	2 6 1	Mass fraction - 2 ; Liquid mixture 1	Mass fraction - 1; Liquid mixture 1	Temperature, K; Liquid mixture 1 Pressure, kPa; Liquid mixture 1	Liquid mixture 1 Liquid mixture 2	Titration method	11
POMD	2 6 1	Mass fraction - 1 ; Liquid mixture 2 Mass fraction - 1 ; Liquid mixture 1 Mass fraction - 2 ; Liquid mixture 1	Mass fraction - 2; Liquid mixture 2	Pressure, kPa; Liquid mixture 2 Temperature, K; Liquid mixture 1	Liquid mixture 2 Liquid mixture 1	Chromatography Chromatography Chromatography	9
POMD	2 3 1	Mass fraction - 2 ; Liquid mixture 1	Mass fraction - 1; Liquid mixture 1	Temperature, K; Liquid mixture 1 Pressure, kPa; Liquid mixture 1	Liquid mixture 1 Liquid mixture 2	Titration method	11
POMD	2 3 1	Mass fraction - 1 ; Liquid mixture 2 Mass fraction - 1 ; Liquid mixture 1 Mass fraction - 2 ; Liquid mixture 1	Mass fraction - 2; Liquid mixture 2	Pressure, kPa; Liquid mixture 2 Temperature, K; Liquid mixture 1	Liquid mixture 2 Liquid mixture 1	Chromatography Chromatography Chromatography	8
POMD	4 2 1	Mass fraction - 2 ; Liquid mixture 1	Mass fraction - 1; Liquid mixture 1	Temperature, K; Liquid mixture 1 Pressure, kPa; Liquid mixture 1	Liquid mixture 1 Liquid mixture 2	Titration method	11
POMD	4 2 1	Mass fraction - 1 ; Liquid mixture 2 Mass fraction - 1 ; Liquid mixture 1 Mass fraction - 4 ; Liquid mixture 1	Mass fraction - 4; Liquid mixture 2	Pressure, kPa; Liquid mixture 2 Temperature, K; Liquid mixture 1	Liquid mixture 2 Liquid mixture 1	Chromatography Chromatography Chromatography	8
POMD	5 1	Mass fraction - 1 ; Liquid mixture 1		Temperature, K; Liquid mixture 1 Pressure, kPa; Liquid mixture 1	Liquid mixture 1 Liquid mixture 2	Titration method	2
POMD	2 1	Mass fraction - 2 ; Liquid mixture 1		Temperature, K; Liquid mixture 1 Pressure, kPa; Liquid mixture 1	Liquid mixture 1 Liquid mixture 2	Titration method	4
POMD	6 1	Mass fraction - 1 ; Liquid mixture 1		Temperature, K; Liquid mixture 1 Pressure, kPa; Liquid mixture 1	Liquid mixture 1 Liquid mixture 2	Titration method	2
POMD	3 1	Mass fraction - 1 ; Liquid mixture 1		Temperature, K; Liquid mixture 1 Pressure, kPa; Liquid mixture 1	Liquid mixture 1 Liquid mixture 2	Titration method	2
POMD	4 1	Mass fraction - 1 ; Liquid mixture 1		Temperature, K; Liquid mixture 1 Pressure, kPa; Liquid mixture 1	Liquid mixture 1 Liquid mixture 2	Titration method	2

Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Solubility and tie-line data for ternary aqueous mixtures of cyclopentanol with organic solvents at T = 298.2 K: Experiments and NRTL model

Wongsawa, T.[Thidarat], Hronec, M.[Milan], Pancharoen, U.[Ura], Phatanasri, S.[Suphot]

ABSTRACT