ABSTRACT

Liquid-liquid equilibrium (LLE) for ternary systems of heptane + alcohols (ethanol, 1-propanol and 2-propanol) + ionic liquids (ILs) were carried out at 298.15 K and atmospheric pressure. The values of distribution coefficient (b) and selectivity (S) were calculated for the systems to investigate the influence of ionic liquids anion and length of the n-alkyl chain in alcohols on the LLE. The NRTL and UNIQUAC models were used to correlated the experimental data, and the results indicated that both the models fit the experimental systems. The UNIFAC model was used to predict the LLE behaviors of the studied systems and compare with experimental and correlated tie-lines.

Compounds

#	Formula	Name
1	C2H6O	ethanol
2	C3H8O	propan-1-ol
3	C3H8O	propan-2-ol
4	C7H16	heptane
5	C10H19BF4N2	1-hexyl-3-methylimidazolium tetrafluoroborate
6	C12H19F6N3O4S2	1-hexyl-3-methylimidazolium bis[(trifluoromethyl)sulfonyl]imide

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 4 5	Mole fraction - 4 ; Liquid mixture 2 Mole fraction - 4 ; Liquid mixture 1 Mole fraction - 1 ; Liquid mixture 1	Mole fraction - 1; Liquid mixture 2	Temperature, K; Liquid mixture 1 Pressure, kPa; Liquid mixture 2	Liquid mixture 2 Liquid mixture 1	Chromatography Chromatography Chromatography	9
POMD	2 4 5	Mole fraction - 4 ; Liquid mixture 2 Mole fraction - 4 ; Liquid mixture 1 Mole fraction - 2 ; Liquid mixture 1	Mole fraction - 2; Liquid mixture 2	Temperature, K; Liquid mixture 1 Pressure, kPa; Liquid mixture 2	Liquid mixture 2 Liquid mixture 1	Chromatography Chromatography Chromatography	9
POMD	3 4 5	Mole fraction - 4 ; Liquid mixture 2 Mole fraction - 4 ; Liquid mixture 1 Mole fraction - 3 ; Liquid mixture 1	Mole fraction - 3; Liquid mixture 2	Temperature, K; Liquid mixture 1 Pressure, kPa; Liquid mixture 2	Liquid mixture 2 Liquid mixture 1	Chromatography Chromatography Chromatography	6
POMD	3 4 6	Mole fraction - 4 ; Liquid mixture 2 Mole fraction - 4 ; Liquid mixture 1 Mole fraction - 3 ; Liquid mixture 1	Mole fraction - 3; Liquid mixture 2	Temperature, K; Liquid mixture 1 Pressure, kPa; Liquid mixture 2	Liquid mixture 2 Liquid mixture 1	Chromatography Chromatography Chromatography	5

Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Liquid-liquid equilibrium measurements and correlation for phase behaviors of alcohols + heptane + ILs ternary systems

Xu, X.[Xicai], Wen, G.[Guilin], Ri, Y.[Yongsaeng], Liu, W.[Wei], Wang, Y.[Yinglong]

ABSTRACT