ABSTRACT

To separate isopropanol from its aqueous solution, isobutyl acetate, butyl acetate and butyl propionate were adopted as the extractive solvents, and the liquid-liquid equilibrium (LLE) data for the ternary systems (isobutyl acetate / butyl acetate / butyl propionate) + isopropanol + water were determined at 298.15 K and 308.15 K under atmospheric pressure. The experimental LLE data were correlated by the NRTL and UNIQUAC models, and the values of the root mean square deviations (RMSD) were less than 1%. And the binary interaction parameters of the NRTL and UNIQUAC models were optimized. Meantime, the distribution coefficient and selectivity were calculated to evaluate the extraction capacity of the solvents. As a result, butyl propionate is a desirable extractive solvent compared with the other two solvents.

Compounds

#	Formula	Name
1	C3H8O	propan-2-ol
2	H2O	water
3	C6H12O2	2-methylpropyl ethanoate
4	C6H12O2	butyl ethanoate
5	C7H14O2	butyl propanoate

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	3 1 2	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	16
POMD	4 1 2	Mole fraction - 4 ; Liquid mixture 2 Mole fraction - 1 ; Liquid mixture 1 Mole fraction - 4 ; 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	16
POMD	5 1 2	Mole fraction - 5 ; Liquid mixture 2 Mole fraction - 1 ; Liquid mixture 1 Mole fraction - 5 ; 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	16

Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Liquid-liquid equilibrium determination and thermodynamics modeling for extraction of isopropanol from its aqueous solution

Liu, Zhanglu, Xu, Dongmei, Ma, Yixin, Zhu, Jianan, Gao, Jun, Shi, Puyun, Ma, Xiaolong, Wang, Yinglong

ABSTRACT