ABSTRACT

Isothermal vapor liquid equilibrium (VLE) phase diagram measurements for the binary systems composed of tricyanomethanide-based ionic liquids and thiophene or pyridinewere carried out over the whole range of composition at temperature between (293.15 and 313.15) K using a static apparatus. Moreover, liquid liquid equilibrium (LLE) phase diagrams for the investigated systems have been determined at atmospheric pressure using a dynamic method. The impact of the cation core structure (imidazolium, or pyridinium, or pyrrolidinium) on the both VLE and LLE has been discussed. Modelling of the investigated properties in terms of molecular-based equation of state, namely perturbed-chain statistical associating fluid theory (PC-SAFT),was performed. Pure-fluid parameters for ionic liquids were obtained from ambient pressure densities and the Hildebrand solubility parameters. Calculations of VLE and LLE employed binary corrections to common combining rules fitted to experimental activity coefficients of thiophene and pyridine reported previously in literature.

Compounds

#	Formula	Name
1	C4H4S	thiophene
2	C5H5N	pyridine
3	C12H15N5	1-butyl-3-methylimidazolium tricyanomethane
4	C14H16N4	1-butyl-4-methylpyridinium tricyanomethanide
5	C13H20N4	1-butyl-1-methylpyrrolidinium tricyanomethanide

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	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Vibrating tube method	1
POMD	1	Vapor or sublimation pressure, kPa ; Liquid	Temperature, K; Liquid		Liquid Gas	Closed cell (Static) method	5
POMD	2	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Vibrating tube method	1
POMD	2	Vapor or sublimation pressure, kPa ; Liquid	Temperature, K; Liquid		Liquid Gas	Closed cell (Static) method	5
POMD	3	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Vibrating tube method	1
POMD	4	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Vibrating tube method	1
POMD	5	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Pressure, kPa; Liquid		Liquid	Vibrating tube method	1
POMD	1 3	Vapor or sublimation pressure, kPa ; Liquid	Mole fraction - 3; Liquid Temperature, K; Liquid		Liquid Gas	Closed cell (Static) method	55
POMD	1 3	Mole fraction - 3 ; Liquid mixture 1	Temperature, K; Liquid mixture 1	Pressure, kPa; Liquid mixture 1	Liquid mixture 1 Liquid mixture 2	visual	12
POMD	2 3	Vapor or sublimation pressure, kPa ; Liquid	Mole fraction - 3; Liquid Temperature, K; Liquid		Liquid Gas	Closed cell (Static) method	30
POMD	1 4	Vapor or sublimation pressure, kPa ; Liquid	Mole fraction - 4; Liquid Temperature, K; Liquid		Liquid Gas	Closed cell (Static) method	40
POMD	1 4	Mole fraction - 4 ; Liquid mixture 1	Temperature, K; Liquid mixture 1	Pressure, kPa; Liquid mixture 1	Liquid mixture 1 Liquid mixture 2	visual	5
POMD	2 4	Vapor or sublimation pressure, kPa ; Liquid	Mole fraction - 4; Liquid Temperature, K; Liquid		Liquid Gas	Closed cell (Static) method	35
POMD	1 5	Vapor or sublimation pressure, kPa ; Liquid	Mole fraction - 5; Liquid Temperature, K; Liquid		Liquid Gas	Closed cell (Static) method	45
POMD	1 5	Mole fraction - 5 ; Liquid mixture 1	Temperature, K; Liquid mixture 1	Pressure, kPa; Liquid mixture 1	Liquid mixture 1 Liquid mixture 2	visual	5
POMD	2 5	Vapor or sublimation pressure, kPa ; Liquid	Mole fraction - 5; Liquid Temperature, K; Liquid		Liquid Gas	Closed cell (Static) method	30

Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Phase diagrams of binary systems containing tricyanomethanide-based ionic liquids and thiophene or pyridine - new experimental data and PC-SAFT modeling

Lukoshko, E.[Elena], Mutelet, F.[Fabrice], Paduszynski, K.[Kamil], Domanska, U.[Urszula]

ABSTRACT