ABSTRACT

In this work the (solid + liquid) equilibria (SLE) of the solution of sustainable solvents with five high-value compounds, thymol, ferulic acid, vanillic acid, caffeic acid and caffeine, was investigated. The sustainable solvents studied were liquid poly(ethylene glycol) of average molecular mass 200 and 400 (PEG200 and PEG400), respectively as well as imidazolium ionic liquids with bistriflamide and triflate anions ([C4mim][NTf2] and [C4mim][OTf]). The obtained SLE data were correlated using the semi-empirical equation proposed by Grant. The activity coefficients of the studied solutes were calculated. Based on these correlations and calculations as well as on the thermo-physical properties of the pure constituents, the SLE behavior of the studied solutions was analyzed and discussed.

Compounds

#	Formula	Name
1	C10H15F6N3O4S2	1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide
2	C9H15F3N2O3S	1-butyl-3-methylimidazolium trifluoromethanesulfonate
3	C10H14O	3-methyl-6-isopropylphenol
4	C10H10O4	4-hydroxy-3-methoxycinnamic acid
5	C8H8O4	4-hydroxy-3-methoxybenzoic acid
6	C9H8O4	caffeic acid
7	C8H10N4O2	caffeine

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 2	Solid-liquid equilibrium temperature, K ; Liquid	Mole fraction - 3; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 3	VISOBS	5
POMD	3 1	Solid-liquid equilibrium temperature, K ; Liquid	Mole fraction - 3; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 3	VISOBS	6
POMD	4 2	Solid-liquid equilibrium temperature, K ; Liquid	Mole fraction - 4; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 4	VISOBS	8
POMD	4 1	Solid-liquid equilibrium temperature, K ; Liquid	Mole fraction - 4; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 4	VISOBS	5
POMD	5 2	Solid-liquid equilibrium temperature, K ; Liquid	Mole fraction - 5; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 5	VISOBS	7
POMD	5 1	Solid-liquid equilibrium temperature, K ; Liquid	Mole fraction - 5; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 5	VISOBS	5
POMD	6 2	Solid-liquid equilibrium temperature, K ; Liquid	Mole fraction - 6; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 6	VISOBS	6
POMD	6 1	Solid-liquid equilibrium temperature, K ; Liquid	Mole fraction - 6; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 6	VISOBS	4
POMD	7 2	Solid-liquid equilibrium temperature, K ; Liquid	Mole fraction - 7; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 7	VISOBS	4
POMD	7 1	Solid-liquid equilibrium temperature, K ; Liquid	Mole fraction - 7; Liquid	Pressure, kPa; Liquid	Liquid Crystal - 7	VISOBS	5

Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Solubility of high-value compounds in environmentally friendly solvents liquid poly(ethylene glycol) and ionic liquids: Experimental study and thermodynamic analysis

Calado, M. S.[Marta S.], Branco, A. S. H.[Adriana S.H.], Najdanovic-Visak, V.[Vesna], Visak, Z. P.[Zoran P.]

ABSTRACT