Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Volumetric properties of binary mixtures of ionic liquid with tributyl phosphate and dimethyl carbonate

Chen, Yuhuan, Sun, Yi, Li, Zhen, Wang, Rui, Hou, Anyu, Yang, Fang
J. Chem. Thermodyn. 2018, 123, 165-173
ABSTRACT
In this work, the densities (rho) were investigated for binary mixtures of ionic liquids (ILs) with molecular solvents, namely tributyl phosphate (TBP) and dimethyl carbonate (DMC), covering the entire concentrations over the temperature range from T = (293.15 to 323.15) K at 0.1 MPa. The involved ILs are 1-butyl-3-methylimidazolium hexafluorophosphate ([Bmim]PF6), 1-butyl-3-methylimidazolium tetrafluoroborate ([Bmim]BF4) and 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl) imide ([Bmim]Tf2N). From the experimental density values, molar volume (Vm), the thermal expansion coefficient (alphap) and excess molar volume (VE) for binary mixtures were calculated. The VE values ranging from (-2.1040 to 0.417) cm3*mol-1 were interpreted in terms of intermolecular interactions and structural characteristics in the binary mixtures. For {[Bmim]PF6 + DMC, [Bmim]PF6 + TBP and [Bmim]BF4 + TBP} mixtures, the VE values are negative due to the dominant electrostatic attraction between cation and anion in IL and hydrogen bonding between IL and TBP/DMC. While for the large molecular system, {[Bmim]Tf2N + TBP}, steric hindrance leads to VE values changing from negative to positive with the increasing of IL concentration. Additionally, the VE values were correlated with Redlich-Kister polynomial equation.
Compounds
# Formula Name
1 C8H15F6N2P 1-butyl-3-methylimidazolium hexafluorophosphate
2 C10H15F6N3O4S2 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide
3 C8H15BF4N2 1-butyl-3-methylimidazolium tetrafluoroborate
4 C12H27O4P tributyl phosphate
5 C3H6O3 dimethyl carbonate
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
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 7
  • POMD
  • 2
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 7
  • POMD
  • 3
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 7
  • POMD
  • 4
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 7
  • POMD
  • 5
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 7
  • POMD
  • 1
  • 4
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 77
  • POMD
  • 1
  • 5
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 77
  • POMD
  • 3
  • 4
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 77
  • POMD
  • 2
  • 4
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 77