Thermodynamics Research Center / ThermoML | Journal of Chemical and Engineering Data

Solid Liquid Equilibria Measurements of Mixtures of Lithium Bis(trifluoromethanesulfonyl)imide with Varying Alkyl Chain Length Ammonium Bis(trifluoromethanesulfonyl)imide Ionic Liquids

Fagnant Jr, D. P.[Daniel P.], Desilva, M. A., Brennecke, J. F.[Joan F.]
J. Chem. Eng. Data 2016, 61, 2, 958-967
ABSTRACT
Ionic liquid (IL) metal mixtures are potential solvents for a variety of applications, including metal electrodeposition, electrolytes for batteries, catalysis, and for separations processes involving liquid liquid extraction. The solubility of a metal in an IL is fundamentally important to selecting an appropriate IL for a potential process; however, relatively few measurements have been reported in the literature. The solid liquid equilibria of binary mixtures of lithium bis(trifluoromethanesulfonyl)imide and three ammonium bis(trifluoromethanesulfonyl)imide ILs are investigated. Measurements are made through two different methods. A visual method allows direct observation of the phase behavior between room temperature and 373 K and a differential calorimetry method provides solid liquid equilibria information up to 623 K. The activity coefficients of the solid in the liquid are calculated from the measured phase equilibria and the pure component physical properties. The mutual solubilities of lithium bis(trifluoromethanesulfonyl)imide and hexadecyl-trimethylammonium bis(trifluoromethanesulfonyl)imide are found to be higher than expected given the long alkyl chain length of the IL cation.
Compounds
# Formula Name
1 C2F6LiNO4S2 lithium bis((trifluoromethyl)sulfonyl)amide
2 C21H42F6N2O4S2 hexadecyltrimethylammonium bis(trifluoromethanesulfonyl)imide
3 C18H36F6N2O4S2 tetrabutylammonium bis[(trifluoromethyl)sulfonyl]imide
4 C7H14F6N2O4S2 ethyltrimethylammonium bis(trifluoromethylsulfonyl)imide
5 C10H8 naphthalene
6 C8H18O octan-1-ol
7 C6H11NO 1-aza-2-cycloheptanone
8 C12H19F6N3O4S2 1-hexyl-3-methylimidazolium bis[(trifluoromethyl)sulfonyl]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
  • Triple point temperature, K ; Crystal 1
  • Crystal 1
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 1
  • Triple point temperature, K ; Crystal 2
  • Crystal 2
  • Crystal 1
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 1
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal 2
  • Crystal 2
  • Crystal 1
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 2
  • Triple point temperature, K ; Crystal 1
  • Crystal 1
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 2
  • Triple point temperature, K ; Crystal 2
  • Crystal 2
  • Crystal 1
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 2
  • Molar enthalpy of transition or fusion, kJ/mol ; Crystal 2
  • Crystal 2
  • Crystal 1
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 3
  • Triple point temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 4
  • Triple point temperature, K ; Crystal
  • Crystal
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 1
  • 3
  • Eutectic temperature, K ; Crystal - 3
  • Crystal - 3
  • Crystal 2 - 1
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 1
  • 3
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 3
  • VISOBS
  • 4
  • POMD
  • 1
  • 3
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal 2 - 1
  • VISOBS
  • 2
  • POMD
  • 1
  • 3
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 3
  • DTA
  • 4
  • POMD
  • 1
  • 3
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal 2 - 1
  • DTA
  • 2
  • POMD
  • 1
  • 3
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal 1 - 1
  • DTA
  • 2
  • POMD
  • 1
  • 2
  • Eutectic temperature, K ; Crystal 1 - 2
  • Crystal 1 - 2
  • Crystal 2 - 1
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 1
  • 2
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal 2 - 2
  • VISOBS
  • 3
  • POMD
  • 1
  • 2
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • VISOBS
  • 2
  • POMD
  • 1
  • 2
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal 1 - 2
  • DTA
  • 2
  • POMD
  • 1
  • 2
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal 2 - 2
  • DTA
  • 1
  • POMD
  • 1
  • 2
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal 2 - 1
  • DTA
  • 2
  • POMD
  • 1
  • 2
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal 1 - 1
  • DTA
  • 3
  • POMD
  • 1
  • 4
  • Eutectic temperature, K ; Crystal 1 - 4
  • Crystal 1 - 4
  • Crystal of intercomponent compound 1
  • Liquid
  • Air at 1 atmosphere
  • DTA
  • 1
  • POMD
  • 1
  • 4
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 4
  • VISOBS
  • 2
  • POMD
  • 1
  • 4
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal of intercomponent compound 1
  • VISOBS
  • 2
  • POMD
  • 1
  • 4
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 4
  • DTA
  • 2
  • POMD
  • 1
  • 4
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal of intercomponent compound 1
  • DTA
  • 7
  • POMD
  • 1
  • 4
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal 2 - 1
  • DTA
  • 3
  • POMD
  • 1
  • 4
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal 1 - 1
  • DTA
  • 2
  • POMD
  • 5
  • 6
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 5; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 5
  • VISOBS
  • 13
  • POMD
  • 7
  • 8
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 7; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 7
  • VISOBS
  • 5