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

Physico-Chemical Properties of LiFSI Solutions I. LiFSI with Valeronitrile, Dichloromethane, 1,2-Dichloroethane, and 1,2-Dichlorobenzene

Neuhaus, Johannes, Harbou, Erik von, Hasse, Hans
J. Chem. Eng. Data 2019, 64, 3, 868-877
ABSTRACT
Lithium bis(fluorosulfonyl)imide (LiFSI) is a novel electrolyte for lithium-ion batteries. Valeronitrile (VN) is a good solvent for LiFSI, and dichloromethane (DCM), 1,2dichloroethane (DCE), and 1,2-dichlorobenzene (DCB), are interesting anti-solvents for crystallization. Physico-chemical data for the design of LiFSI production processes, in which these components are used, is lacking. Therefore, the solubility of LiFSI in VN, as well as in binary solvent mixtures VN + (DCM, DCE, DCB) was measured at temperatures between 278 and 343 K and concentrations of LiFSI up to 0.52 mol mol-1 . Furthermore, vapor-liquid equilibria of the systems VN-DCE (at 200 mbar) and VNDCB (at 200 mbar, 300 mbar, and 450 mbar) were studied. Also, the density and shear viscosity of solutions of LiFSI in VN were measured at temperatures between 293 and 333 K and concentrations of LiFSI up to 0.5 mol mol-1 .
Compounds
# Formula Name
1 F2LiNO4S2 lithium bis(fluorosulfonyl)imide
2 CH2Cl2 dichloromethane
3 C2H4Cl2 1,2-dichloroethane
4 ClK potassium chloride
5 H2O water
6 C2H3NaO2 sodium ethanoate
7 C5H9N pentanenitrile
8 C6H4Cl2 1,2-dichlorobenzene
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
  • 7
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 10
  • POMD
  • 7
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 6
  • POMD
  • 7
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Falling or rolling sphere viscometry
  • 3
  • POMD
  • 8
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 16
  • POMD
  • 1
  • 7
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 30
  • POMD
  • 1
  • 7
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Falling or rolling sphere viscometry
  • 24
  • POMD
  • 1
  • 7
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Titration method
  • 13
  • POMD
  • 1
  • 7
  • 2
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 7; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Titration method
  • 6
  • POMD
  • 1
  • 7
  • 3
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 7; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Titration method
  • 12
  • POMD
  • 1
  • 7
  • 8
  • Mole fraction - 1 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 7; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 1
  • Titration method
  • 8
  • POMD
  • 7
  • 3
  • Boiling temperature at pressure P, K ; Liquid
  • Mole fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • Ebulliometric method (Recirculating still)
  • 12
  • POMD
  • 7
  • 3
  • Mole fraction - 3 ; Gas
  • Mole fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Gas
  • Liquid
  • Chromatography
  • 12
  • POMD
  • 7
  • 8
  • Boiling temperature at pressure P, K ; Liquid
  • Mole fraction - 7; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 46
  • POMD
  • 7
  • 8
  • Mole fraction - 7 ; Gas
  • Mole fraction - 7; Liquid
  • Pressure, kPa; Liquid
  • Gas
  • Liquid
  • Chromatography
  • 46
  • POMD
  • 4
  • 5
  • Mole fraction - 4 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 4
  • Titration method
  • 4
  • POMD
  • 6
  • 5
  • Mole fraction - 6 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal of intercomponent compound 1
  • Titration method
  • 3
  • POMD
  • 6
  • 5
  • Mole fraction - 6 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 6
  • Titration method
  • 1