ABSTRACT

An ionic liquid (IL) of 1-Hexyl-3-methylimidazolium trifluoromethanesulfonate [Hmim][OTf] was investigated as a possible extraction solvent in petrochemical processes for the removal of alcohol from an azeotropic mixture with heptane. Liquid-liquid equilibrium (LLE) experiments of three ternary systems, hexane + ethanol, 1-propanol, or 2-propanol + [Hmim][OTf], were conducted at 298.15 K and atmospheric pressure. The efficiency of [Hmim][OTf] as an extraction solvent was determined by calculating the solute distribution ratio, and selectivity, and this efficiency was compared to other ionic liquids from the literature. The structural volume and surface area of [Hmim][OTf] were determined using a quantum chemistry approach. The LLE data of the three ternary systems were correlated using NRTL and UNIQUAC models, and the UNIFAC model was used to predict the phase behavior compared to the experimental data.

Compounds

#	Formula	Name
1	C2H6O	ethanol
2	C3H8O	propan-1-ol
3	C3H8O	propan-2-ol
4	C11H19F3N2O3S	1-hexyl-3-methylimidazolium trifluoromethanesulfonate
5	C7H16	heptane

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 5 4	Mole fraction - 5 ; Liquid mixture 2 Mole fraction - 1 ; Liquid mixture 1 Mole fraction - 5 ; Liquid mixture 1	Mole fraction - 1; Liquid mixture 2	Temperature, K; Liquid mixture 2 Pressure, kPa; Liquid mixture 2	Liquid mixture 2 Liquid mixture 1	Chromatography Chromatography Chromatography	7
POMD	2 5 4	Mole fraction - 5 ; Liquid mixture 2 Mole fraction - 2 ; Liquid mixture 1 Mole fraction - 5 ; Liquid mixture 1	Mole fraction - 2; Liquid mixture 2	Temperature, K; Liquid mixture 2 Pressure, kPa; Liquid mixture 2	Liquid mixture 2 Liquid mixture 1	Chromatography Chromatography Chromatography	9
POMD	3 5 4	Mole fraction - 5 ; Liquid mixture 2 Mole fraction - 3 ; Liquid mixture 1 Mole fraction - 5 ; Liquid mixture 1	Mole fraction - 3; Liquid mixture 2	Temperature, K; Liquid mixture 2 Pressure, kPa; Liquid mixture 2	Liquid mixture 2 Liquid mixture 1	Chromatography Chromatography Chromatography	7

Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Application of 1-hexyl-3-methylimidazolium trifluoromethanesulfonate to the removal of alcohol from mixtures with heptane

Liu, W.[Wei], Ri, Y.[Yongsaeng], Ma, K.[Kang], Xu, X.[Xicai], Zhu, Z.[Zhaoyou], Wang, Y.[Yinglong]

ABSTRACT