Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Effect of anion species on infinite dilution activity coefficients of epoxides in imidazolium-based ionic liquids

Shimoyama, Y.[Yusuke], Ikeda, K.[Kenta], Iwai, Y.[Yoshio]
Fluid Phase Equilib. 2010, 294, 1-2, 241-245
ABSTRACT
The infinite dilution activity coefficients of 1,2-epoxypropane, 1,2-epoxybutane, 2-methyl-1,2-epoxypropane and 1,2-epoxyhexane in the ionic liquids with 1-butyl-3-methylimidazolium cation ([bmim]), [bmim][BF4] and [bmim][PF6] were measured by gas liquid chromatograph (GC) from (325.2 to 363.4) K and atmospheric pressure. The ionic liquids were used as stationary phases in GC. The experimental data of the activity coefficients were determined from the extrapolations to zero of the gas flow rate on GC. The activity coefficients of the all epoxides in [bmim][PF6] are smaller than those in [bmim][BF4]. The partial molar excess enthalpies and entropies at infinite dilution for the epoxides in the ionic liquids were obtained from the experimental data of the activity coefficients. The enthalpies for the epoxides in [bmim][PF6] are negative. The values of entropies in [bmim][PF6] are lower than those in [bmim][BF4]. It can be explained that the interactions of the epoxides with [bmim][PF6] are larger than those with [bmim][BF4].
Compounds
# Formula Name
1 C8H15BF4N2 1-butyl-3-methylimidazolium tetrafluoroborate
2 C8H15F6N2P 1-butyl-3-methylimidazolium hexafluorophosphate
3 C3H6O methyloxirane
4 C4H8O ethyloxirane
5 C4H8O 2,2-dimethyloxirane
6 C6H12O 1,2-epoxyhexane
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
  • 3
  • 1
  • Activity coefficient - 3 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 3; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 5
  • POMD
  • 3
  • 1
  • Partial molar enthalpy, kJ/mol - 3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 3; Liquid
  • Liquid
  • Derived from infinite dilution activity coefficient data
  • 1
  • POMD
  • 4
  • 1
  • Activity coefficient - 4 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 4; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 5
  • POMD
  • 4
  • 1
  • Partial molar enthalpy, kJ/mol - 4 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 4; Liquid
  • Liquid
  • Derived from infinite dilution activity coefficient data
  • 1
  • POMD
  • 5
  • 1
  • Activity coefficient - 5 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 5; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 5
  • POMD
  • 5
  • 1
  • Partial molar enthalpy, kJ/mol - 5 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 5; Liquid
  • Liquid
  • Derived from infinite dilution activity coefficient data
  • 1
  • POMD
  • 6
  • 1
  • Activity coefficient - 6 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 6; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 5
  • POMD
  • 6
  • 1
  • Partial molar enthalpy, kJ/mol - 6 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 6; Liquid
  • Liquid
  • Derived from infinite dilution activity coefficient data
  • 1
  • POMD
  • 3
  • 2
  • Activity coefficient - 3 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 3; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 4
  • POMD
  • 3
  • 2
  • Partial molar enthalpy, kJ/mol - 3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 3; Liquid
  • Liquid
  • Derived from infinite dilution activity coefficient data
  • 1
  • POMD
  • 4
  • 2
  • Activity coefficient - 4 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 4; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 4
  • POMD
  • 4
  • 2
  • Partial molar enthalpy, kJ/mol - 4 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 4; Liquid
  • Liquid
  • Derived from infinite dilution activity coefficient data
  • 1
  • POMD
  • 5
  • 2
  • Activity coefficient - 5 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 5; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 4
  • POMD
  • 5
  • 2
  • Partial molar enthalpy, kJ/mol - 5 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 5; Liquid
  • Liquid
  • Derived from infinite dilution activity coefficient data
  • 1
  • POMD
  • 6
  • 2
  • Activity coefficient - 6 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 6; Liquid
  • Liquid
  • Gas
  • Chromatography
  • 4
  • POMD
  • 6
  • 2
  • Partial molar enthalpy, kJ/mol - 6 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 6; Liquid
  • Liquid
  • Derived from infinite dilution activity coefficient data
  • 1