Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Thermodynamic measurement and modeling of vinyl fluoride solubility in aqueous lithium bis(trifluoromethylsulfonyl)imide Li+Tf2N- + H2O solutions

Minnick, D. L.[David L.], Gilbert, W. J. R.[William J. R.], Rocha, M. A., Shiflett, M. B.[Mark B.]
Fluid Phase Equilib. 2017, 444, 61-68
ABSTRACT
The solubility of gaseous vinyl fluoride (VF) was measured in Lithium Bis(trifluoromethylsulfonyl)imide (Li+Tf2N-) + water (H2O) solutions at salt compositions on a solute (VF) free basis of 20.15, 40.0, and 80.0 wt.% at isothermal conditions of approximately 283 K, 304 K, and 372 K using a volumetric view cell. The experimental results demonstrated that vinyl fluoride is highly soluble in aqueous Li+Tf2N- salt solutions and that solubility is directly proportional to salt loading with the greatest VF solubilities (x_VF = ~ 0.0629) observed in samples containing 80.0 wt.% Li+Tf2N-. The experimental phase equilibrium results were successfully modeled by a standard Peng Robinson equation of state which utilized a van der Waals 1-parameter mixing rule and four binary interaction parameters (two temperature dependent and two temperature independent). The absolute average deviation (AAD) in pressure between experimental and regressed data was 1.71% indicating the excellent model fit. The significant thermodynamic vinyl fluoride sorption capacity of Li+Tf2N- + H2O solutions indicate their potential to be utilized as improved solvents for poly(vinyl fluoride) polymerization reactions.
Compounds
# Formula Name
1 C2H3F fluoroethene
2 C2F6LiNO4S2 lithium bis((trifluoromethyl)sulfonyl)amide
3 H2O water
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
  • 3
  • 2
  • Vapor or sublimation pressure, kPa ; Gas
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Mole fraction - 2; Liquid
  • Gas
  • Liquid
  • Closed cell (Static) method
  • 26
  • POMD
  • 1
  • 3
  • 2
  • Vapor or sublimation pressure, kPa ; Gas
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Mole fraction - 2; Liquid
  • Gas
  • Liquid
  • Closed cell (Static) method
  • 26
  • POMD
  • 1
  • 3
  • 2
  • Vapor or sublimation pressure, kPa ; Gas
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Mole fraction - 2; Liquid
  • Gas
  • Liquid
  • Closed cell (Static) method
  • 28