ABSTRACT

The efficiency of choline bis(trifluoromethylsulfonyl)imide [choline][NTf2] was evaluated as extractant media for the extraction of phenolic compounds from aqueous solution. Solid-liquid and liquid-liquid equilibria of the ternary mixtures {water + phenolic compounds (phenol, guaiacol, syringol or pyrocatechol) + ionic liquid} were first measured at 295.15 K at atmospheric pressure. The selectivity and the solute distribution ratio values calculated from experimental data indicate that [choline][NTf2] is suitable for the extraction of phenolic compounds. Thermodynamic data of ternary mixtures were used to regress the parameters of the NRTL and UNIQUAC thermodynamic models. The influence of experimental conditions on the extraction of phenolic compounds from aqueous solutions using [choline][NTf2] were evaluated. Process design shows that phenol, guaiacol and syringol are easily extractable with few amount of solvent, number of theoretical steps and energy.

Compounds

#	Formula	Name
1	C6H6O	phenol
2	C7H8O2	2-methoxyphenol
3	C8H10O3	1,3-dimethoxy-2-hydroxybenzene
4	C6H6O2	1,2-benzenediol
5	C7H14F6N2O5S2	choline bis(trifluoromethylsulfonyl)imide
6	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	1 6 5	Mole fraction - 5 ; Liquid	Mole fraction - 1; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid Crystal - 1	Chromatography	9
POMD	2 6 5	Mole fraction - 5 ; Liquid mixture 2 Mole fraction - 5 ; Liquid mixture 1 Mole fraction - 2 ; 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	8
POMD	3 6 5	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	8
POMD	3 6 5	Mole fraction - 5 ; Liquid	Mole fraction - 3; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid Crystal - 3	Chromatography	7
POMD	4 6 5	Mole fraction - 4 ; Liquid mixture 2 Mole fraction - 5 ; Liquid mixture 1 Mole fraction - 4 ; Liquid mixture 1	Mole fraction - 5; Liquid mixture 2	Temperature, K; Liquid mixture 2 Pressure, kPa; Liquid mixture 2	Liquid mixture 2 Liquid mixture 1	Chromatography Chromatography Chromatography	8
POMD	4 6 5	Mole fraction - 5 ; Liquid	Mole fraction - 4; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid	Liquid Crystal - 4	Chromatography	11
POMD	6 5	Mole fraction - 5 ; Liquid mixture 2	Temperature, K; Liquid mixture 2 Pressure, kPa; Liquid mixture 2		Liquid mixture 2 Liquid mixture 1	Chromatography	1
POMD	6 5	Mole fraction - 5 ; Liquid mixture 1	Temperature, K; Liquid mixture 2 Pressure, kPa; Liquid mixture 2		Liquid mixture 1 Liquid mixture 2	Chromatography	1
POMD	1 6	Mole fraction - 1 ; Liquid mixture 2	Temperature, K; Liquid mixture 2 Pressure, kPa; Liquid mixture 2		Liquid mixture 2 Liquid mixture 1	Chromatography	1
POMD	1 6	Mole fraction - 1 ; Liquid mixture 1		Temperature, K; Liquid mixture 2 Pressure, kPa; Liquid mixture 2	Liquid mixture 1 Liquid mixture 2	Chromatography	2
POMD	1 6	Mole fraction - 1 ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid Crystal - 1	Chromatography	1
POMD	1 5	Mole fraction - 5 ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid Crystal - 1	Chromatography	1
POMD	2 6	Mole fraction - 2 ; Liquid mixture 2	Temperature, K; Liquid mixture 2 Pressure, kPa; Liquid mixture 2		Liquid mixture 2 Liquid mixture 1	Chromatography	1
POMD	2 6	Mole fraction - 2 ; Liquid mixture 1	Temperature, K; Liquid mixture 2 Pressure, kPa; Liquid mixture 2		Liquid mixture 1 Liquid mixture 2	Chromatography	1
POMD	3 6	Mole fraction - 3 ; Liquid mixture 1	Temperature, K; Liquid mixture 2 Pressure, kPa; Liquid mixture 2		Liquid mixture 1 Liquid mixture 2	Chromatography	1
POMD	3 5	Mole fraction - 5 ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid Crystal - 3	Chromatography	1
POMD	4 6	Mole fraction - 4 ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid Crystal - 4	Chromatography	1
POMD	4 5	Mole fraction - 5 ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid Crystal - 4	Chromatography	1

Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Extraction of phenolic compounds from aqueous solution using choline bis(trifluoromethylsulfonyl)imide

Cesari, L.[Laetitia], Canabady-Rochelle, L.[Laetitia], Mutelet, F.[Fabrice]

ABSTRACT