Thermodynamics Research Center, ThermoML : Fluid Phase Equilibria

Physico-chemical properties of ionic liquids: density, viscosity, density at high pressure, surface tension, octan-1-ol/water partition coefficients and thermodynamic models

Domaska, U.[Urszula], Krolikowska, M.[Marta], Pobudkowska, A.[Aneta], Krolikowski, M.[Marek], Wickowski, M.[Mikoaj]
Fluid Phase Equilib. 2019, 502, 112304
ABSTRACT
Ionic liquids (ILs) are an important new media and one of the most attractive solvents used in extraction and separation processes. This work presents some important physico-chemical properties and topics related to ILs, which were found by us as good extractive solvents for the desulfurization of fuels and for the separation of water/biobutan-1-ol. It consists of the most important series of experimental measurements of density and viscosity of pure ILs and in binary systems with thiophene and butan-1-ol: (N-hydroxyethylpyridinium tricyanomethanide, [C2OHPy][TCM] + thiophene), or (N-hydroxypropylpyridinium tricyanomethanide, [C3OHPy][TCM] + thiophene) or (N-benzyl-N-dodecyl-N,Ndimethylammonium bis(trifluoromethyl-sulfonyl)imide, [N1,1,12,Bz][NTf2] + butan-1-ol). These systems exhibit mainly negative molar excess volumes, V^E in systems with thiophene and slightly positive and negative in the system with butan-1-ol. The Redlich Kister equation was used for correlation of the liquid density, excess molar volumes and dynamic viscosity deviations as a function of temperature and composition, whereas Vogel-Fulcher-Tammann, VFT was used for describing the temperature dependence of dynamic viscosities. Very often, the high pressure is proposed for new technologies of separation and that is why we present the influence of pressure on the density of [C2OHPy][TCM], [C3OHPy][TCM] and [N1,1,12,Bz][NTf2] in a wide range of temperature from T = (298.15 to 348.15) K and pressure from p = (0.1 to 40) MPa. The Tait equation was used for the correlation of density as a function of mole fraction, temperature, and pressure. The influence of pressure for ILs, is as usual, not significant. The thermal expansion coefficient and isothermal compressibility coefficient as a function of temperature T, and pressure p are presented. Herein, surface tension of new ILs was measured for the collection of physico-chemical properties of the ILs used in this work. Also, the octan-1-ol/water, K_ow partition coefficients in ternary liquid-liquid phase equilibrium were determined for the systems {[C2OHPy][TCM], or [C3OHPy][TCM](1) + octan-1-ol (2) + water (3)} at temperature T = 298.15 K and the discussion of the biocompatibility of the used ILs is presented.
Compounds
# Formula Name
1 C4H4S thiophene
2 C4H10O butan-1-ol
3 C8H18O octan-1-ol
4 H2O water
5 C11H10N4O 1-(2-hydroxyethyl)pyridinium tricyanomethanide
6 C12H12N4O 1-(3-hydroxypropyl)pyridinium tricyanomethanide
7 C23H38F6N2O4S2 benzyldimethyldodecylammonium bis(trifluoromethylsulfonyl)imide
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
  • 12
  • POMD
  • 1
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Falling or rolling sphere viscometry
  • 12
  • POMD
  • 2
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 12
  • POMD
  • 2
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Falling or rolling sphere viscometry
  • 11
  • POMD
  • 5
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 72
  • POMD
  • 5
  • Surface tension liquid-gas, N/m ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Ring tensiometer
  • 7
  • POMD
  • 5
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Falling or rolling sphere viscometry
  • 12
  • POMD
  • 6
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 72
  • POMD
  • 6
  • Surface tension liquid-gas, N/m ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Ring tensiometer
  • 7
  • POMD
  • 6
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Falling or rolling sphere viscometry
  • 12
  • POMD
  • 7
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 72
  • POMD
  • 7
  • Surface tension liquid-gas, N/m ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Ring tensiometer
  • 7
  • POMD
  • 7
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Falling or rolling sphere viscometry
  • 11
  • POMD
  • 5
  • 1
  • Mass density, kg/m3 ; Liquid
  • Mole fraction - 5; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 96
  • POMD
  • 5
  • 1
  • Viscosity, Pa*s ; Liquid
  • Mole fraction - 5; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Falling or rolling sphere viscometry
  • 96
  • POMD
  • 6
  • 1
  • Mass density, kg/m3 ; Liquid
  • Mole fraction - 6; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 96
  • POMD
  • 6
  • 1
  • Viscosity, Pa*s ; Liquid
  • Mole fraction - 6; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Falling or rolling sphere viscometry
  • 96
  • POMD
  • 7
  • 2
  • Mass density, kg/m3 ; Liquid
  • Mole fraction - 7; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 96
  • POMD
  • 7
  • 2
  • Viscosity, Pa*s ; Liquid
  • Mole fraction - 7; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Falling or rolling sphere viscometry
  • 88
  • POMD
  • 5
  • 3
  • 4
  • Amount concentration (molarity), mol/dm3 - 5 ; Liquid - 3
  • Amount concentration (molarity), mol/dm3 - 5; Liquid - 4
  • Temperature, K; Liquid - 3
  • Pressure, kPa; Liquid - 3
  • Liquid - 3
  • Liquid - 4
  • SPECTR
  • 6
  • POMD
  • 6
  • 3
  • 4
  • Amount concentration (molarity), mol/dm3 - 6 ; Liquid - 3
  • Amount concentration (molarity), mol/dm3 - 6; Liquid - 4
  • Temperature, K; Liquid - 3
  • Pressure, kPa; Liquid - 3
  • Liquid - 3
  • Liquid - 4
  • SPECTR
  • 5