ABSTRACT

This paper focuses on the study of the solubility behaviour of 1-hexyl-3-methylimidazolium tetracyanoborate [HMIM][TCB] and 1-butyl-3-methylimidazolium tetracyanoborate [BMIM][TCB] in combination with methylcyclohexane and toluene as representatives for non-aromatic and aromatic components. Binary and ternary (liquid + liquid) equilibrium data were collected at three different temperatures and at atmospheric pressure (0.1 MPa). The experimental data were well-correlated with the NRTL and UNIQUAC thermodynamic models; however, the UNIQUAC model gave better predictions than the NRTL, with a root mean square error below 0.97%. The non-aromatic/aromatic selectivities of the ionic liquids make them suitable solvents to be used in extractive distillation processes.

Compounds

#	Formula	Name
1	C14H19BN6	1-hexyl-3-methylimidazolium tetracyanoborate
2	C12H15BN6	1-butyl-3-methyl-1H-imidazolium tetracyanoborate
3	C7H8	toluene
4	C7H14	methylcyclohexane

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 1	Mole fraction - 3 ; Liquid mixture 1	Temperature, K; Liquid mixture 1	Pressure, kPa; Liquid mixture 1	Liquid mixture 1 Liquid mixture 2	Chromatography	3
POMD	3 1	Mole fraction - 3 ; Liquid mixture 2	Temperature, K; Liquid mixture 1	Pressure, kPa; Liquid mixture 1	Liquid mixture 2 Liquid mixture 1	Chromatography	3
POMD	3 2	Mole fraction - 3 ; Liquid mixture 1	Temperature, K; Liquid mixture 1	Pressure, kPa; Liquid mixture 1	Liquid mixture 1 Liquid mixture 2	Chromatography	3
POMD	3 2	Mole fraction - 3 ; Liquid mixture 2	Temperature, K; Liquid mixture 1	Pressure, kPa; Liquid mixture 1	Liquid mixture 2 Liquid mixture 1	Chromatography	3
POMD	4 1	Mole fraction - 4 ; Liquid mixture 1	Temperature, K; Liquid mixture 1	Pressure, kPa; Liquid mixture 1	Liquid mixture 1 Liquid mixture 2	Chromatography	3
POMD	4 1	Mole fraction - 4 ; Liquid mixture 2	Temperature, K; Liquid mixture 1	Pressure, kPa; Liquid mixture 1	Liquid mixture 2 Liquid mixture 1	Chromatography	3
POMD	4 2	Mole fraction - 4 ; Liquid mixture 1	Temperature, K; Liquid mixture 1	Pressure, kPa; Liquid mixture 1	Liquid mixture 1 Liquid mixture 2	Chromatography	3
POMD	4 2	Mole fraction - 4 ; Liquid mixture 2	Temperature, K; Liquid mixture 1	Pressure, kPa; Liquid mixture 1	Liquid mixture 2 Liquid mixture 1	Chromatography	3
POMD	4 3 1	Mole fraction - 4 ; Liquid mixture 2 Mole fraction - 3 ; Liquid mixture 1 Mole fraction - 4 ; Liquid mixture 1	Temperature, K; Liquid mixture 1 Mole fraction - 3; Liquid mixture 2	Pressure, kPa; Liquid mixture 1	Liquid mixture 2 Liquid mixture 1	Chromatography Chromatography Chromatography	27
POMD	4 3 2	Mole fraction - 4 ; Liquid mixture 2 Mole fraction - 3 ; Liquid mixture 1 Mole fraction - 4 ; Liquid mixture 1	Temperature, K; Liquid mixture 1 Mole fraction - 3; Liquid mixture 2	Pressure, kPa; Liquid mixture 1	Liquid mixture 2 Liquid mixture 1	Chromatography Chromatography Chromatography	27

Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Binary and ternary (liquid + liquid) equilibrium for {methylcyclohexane (1) + toluene (2) + 1-hexyl-3-methylimidazolium tetracyanoborate (3)/1-butyl-3-methylimidazolium tetracyanoborate (3)}

Gutierrez, J. P.[Juan Pablo], Meindersma, W.[Wytze], de Haan, A. B.[Andre B.]

ABSTRACT