Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Hydrogen substitution effect on the solubility of perhalogenated compounds in ionic liquid [bmim][PF6]

Shiflett, M. B.[Mark B.], Yokozeki, A.
Fluid Phase Equilib. 2007, 259, 2, 210-217
ABSTRACT
Solubility behaviors of binary mixtures of CFCl3 (R-11), CFCl2-CF2Cl (R-113), CHCl3 (R-20), CDCl3 (R-20-d), CHCl2 CF3 (R-123) with room-temperature ionic liquid [bmim][PF6] (1-butyl-3-methylimidazolium hexafluorophosphate) have been investigated using the volumetric and cloud-point methods, since all the systems show liquid liquid equilibria (LLE). Large immiscibility (LLE) gaps of the perhalogenated compounds (R-11 and R-113) in the ionic liquid have been drastically reduced by the addition of only one hydrogen (or deuterium) in these compounds. The R-123 + [bmim][PF6] binary system belongs to the Type-V fluid behavior. Noticeably large negative values (-2 to -8 cm3 mol-1) of the excess molar volume in the ionic liquid-rich side solution have been observed for all the present systems. Experimental LLE data have been well correlated by the use of the NRTL (non-random two liquid) activity coefficient model.
Compounds
# Formula Name
1 CCl3F trichlorofluoromethane
2 C2Cl3F3 1,1,2-trichloro-1,2,2-trifluoroethane
3 C2HCl2F3 1,1-dichloro-2,2,2-trifluoroethane
4 CHCl3 trichloromethane
5 CDCl3 chloroform-d
6 C8H15F6N2P 1-butyl-3-methylimidazolium hexafluorophosphate
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
  • 6
  • Mole fraction - 1 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Gas
  • Volumetric Method
  • 6
  • POMD
  • 1
  • 6
  • Mole fraction - 1 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • Gas
  • Volumetric Method.
  • 6
  • POMD
  • 4
  • 6
  • Mole fraction - 4 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Gas
  • Volumetric Method
  • 6
  • POMD
  • 4
  • 6
  • Mole fraction - 4 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • Gas
  • Volumetric Method.
  • 6
  • POMD
  • 5
  • 6
  • Mole fraction - 5 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Gas
  • Volumetric Method
  • 6
  • POMD
  • 5
  • 6
  • Mole fraction - 5 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • Gas
  • Volumetric Method.
  • 6
  • POMD
  • 2
  • 6
  • Mole fraction - 2 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Gas
  • volumetric method.
  • 7
  • POMD
  • 2
  • 6
  • Mole fraction - 2 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • Gas
  • volumetric method.
  • 7
  • POMD
  • 3
  • 6
  • Mole fraction - 3 ; Liquid mixture 1
  • Temperature, K; Liquid mixture 1
  • Liquid mixture 1
  • Liquid mixture 2
  • Gas
  • volumetric method.
  • 7
  • POMD
  • 3
  • 6
  • Mole fraction - 3 ; Liquid mixture 2
  • Temperature, K; Liquid mixture 2
  • Liquid mixture 2
  • Liquid mixture 1
  • Gas
  • volumetric method.
  • 7