ABSTRACT

This study evaluated the effects of ionic liquids (ILs) on the formation of aqueous biphasic systems (ABS) with organic salts. Phase diagrams, tie lines, and respective tie line lengths were determined at 298 K and atmospheric pressure. Using imidazolium-based ILs, the effects of the IL anions and salt anions, as well as the addition of dipolar aprotic solvents (DAS) on ABS formation were investigated. In general, the IL with hydrogen bond basicity ranging between 0.38 and 0.60 formed ABS with organic salts. However, those below this range were insoluble, and those above this range did not undergo phase separation. The salt anion capacity to induce ABS increased with increased valence and decreased Gibbs free energy of hydration. Moreover, the biphasic area for the IL-based ABS reduced with increased DAS concentration.

Compounds

#	Formula	Name
1	C8H15BF4N2	1-butyl-3-methylimidazolium tetrafluoroborate
2	C9H15F3N2O3S	1-butyl-3-methylimidazolium trifluoromethanesulfonate
3	C10H15N5	1-butyl-3-methylimidazolium dicyanamide
4	CHNaO2	sodium methanoate
5	C2H3NaO2	sodium ethanoate
6	C3H5NaO2	sodium propanoate
7	C4H4Na2O4	disodium succinate
8	C4H4Na2O6	disodium L-tartrate
9	C6H5Na3O7	trisodium citrate
10	C6H11NaO7	sodium (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
11	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	4 11 1	Mass fraction - 1 ; Liquid mixture 2 Mass fraction - 4 ; Liquid mixture 1 Mole fraction - 1 ; Liquid mixture 1	Mass fraction - 4; Liquid mixture 2	Pressure, kPa; Liquid mixture 2 Temperature, K; Liquid mixture 2	Liquid mixture 2 Liquid mixture 1	Chromatography Chromatography Chromatography	3
POMD	4 11 1	Mass fraction - 4 ; 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	32
POMD	5 11 1	Mass fraction - 1 ; Liquid mixture 2 Mass fraction - 5 ; Liquid mixture 1 Mass fraction - 1 ; Liquid mixture 1	Mass fraction - 5; Liquid mixture 2	Pressure, kPa; Liquid mixture 2 Temperature, K; Liquid mixture 2	Liquid mixture 2 Liquid mixture 1	Chromatography Chromatography Chromatography	3
POMD	5 11 1	Mass fraction - 5 ; 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	29
POMD	6 11 1	Mass fraction - 1 ; Liquid mixture 2 Mass fraction - 6 ; Liquid mixture 1 Mass fraction - 1 ; Liquid mixture 1	Mass fraction - 6; Liquid mixture 2	Pressure, kPa; Liquid mixture 2 Temperature, K; Liquid mixture 2	Liquid mixture 2 Liquid mixture 1	Chromatography Chromatography Chromatography	3
POMD	6 11 1	Mass fraction - 6 ; 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	18
POMD	7 11 1	Mass fraction - 1 ; Liquid mixture 2 Mass fraction - 7 ; Liquid mixture 1 Mass fraction - 1 ; Liquid mixture 1	Mass fraction - 7; Liquid mixture 2	Pressure, kPa; Liquid mixture 2 Temperature, K; Liquid mixture 2	Liquid mixture 2 Liquid mixture 1	Chromatography Chromatography Chromatography	3
POMD	7 11 1	Mass fraction - 7 ; 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	29
POMD	8 11 1	Mass fraction - 8 ; 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	29
POMD	8 11 1	Mass fraction - 8 ; Liquid mixture 1 Mass fraction - 1 ; Liquid mixture 2 Mass fraction - 8 ; Liquid mixture 2	Mass fraction - 1; Liquid mixture 1	Temperature, K; Liquid mixture 2 Pressure, kPa; Liquid mixture 2	Liquid mixture 1 Liquid mixture 2	Chromatography Chromatography Chromatography	3
POMD	9 11 1	Mass fraction - 1 ; Liquid mixture 2 Mass fraction - 9 ; Liquid mixture 1 Mass fraction - 1 ; Liquid mixture 1	Mass fraction - 9; Liquid mixture 2	Pressure, kPa; Liquid mixture 2 Temperature, K; Liquid mixture 2	Liquid mixture 2 Liquid mixture 1	Chromatography Chromatography Chromatography	3
POMD	9 11 1	Mass fraction - 9 ; 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	32
POMD	10 11 1	Mass fraction - 1 ; Liquid mixture 2 Mass fraction - 10 ; Liquid mixture 1 Mass fraction - 1 ; Liquid mixture 1	Mass fraction - 10; Liquid mixture 2	Pressure, kPa; Liquid mixture 2 Temperature, K; Liquid mixture 2	Liquid mixture 2 Liquid mixture 1	Chromatography Chromatography Chromatography	3
POMD	10 11 1	Mass fraction - 10 ; 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	27
POMD	4 11 2	Mass fraction - 4 ; Liquid mixture 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	32
POMD	5 11 2	Mass fraction - 5 ; Liquid mixture 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	32
POMD	6 11 2	Mass fraction - 6 ; Liquid mixture 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	28
POMD	7 11 2	Mass fraction - 7 ; Liquid mixture 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	32
POMD	8 11 2	Mass fraction - 8 ; Liquid mixture 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	32
POMD	9 11 2	Mass fraction - 9 ; Liquid mixture 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	32
POMD	10 11 2	Mass fraction - 10 ; Liquid mixture 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	32
POMD	4 11 3	Mass fraction - 4 ; Liquid mixture 1	Mass fraction - 3; Liquid mixture 1	Pressure, kPa; Liquid mixture 1 Temperature, K; Liquid mixture 1	Liquid mixture 1 Liquid mixture 2	Titration method	32
POMD	8 11 3	Mass fraction - 8 ; Liquid mixture 1	Mass fraction - 3; Liquid mixture 1	Pressure, kPa; Liquid mixture 1 Temperature, K; Liquid mixture 1	Liquid mixture 1 Liquid mixture 2	Titration method	32

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

Phase Behavior of Aqueous Biphasic Systems Composed of Ionic Liquids and Organic Salts

Gao, J.[Jing], Chen, L.[Li], Yan, Z. C.[Zong Cheng]

ABSTRACT