Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

An effect of cation functionalization on thermophysical properties of ionic liquids and solubility of glucose in them Measurements and PC-SAFT calculations

Paduszynski, K.[Kamil], Okuniewski, M.[Marcin], Domanska, U.[Urszula]
J. Chem. Thermodyn. 2016, 92, 81-90
ABSTRACT
This contribution is concerned with thermodynamic investigation on thermophysical properties of four ionic liquids based on dicyanamide anion. The ionic liquids under study differ in substituent attached to imidazolium cation, so that an impact of terminal functional groups on the considered properties is established. Discussion is presented in terms of molecular packing and interactions (polarity, hydrogen bonding) between molecules forming system. Differential scanning calorimetry thermograms, density and viscosity were the investigated properties of pure ionic liquids. Moreover, new data sets on solubility of glucose in ionic liquids are presented. Analysis of the temperature-dependent solubility data by means of modified Van t Hoff equation is given and apparent thermodynamic functions of dissolution are calculated. Thermodynamic modeling of the (solid + liquid) equilibrium phase diagrams was carried out by means of perturbed-chain statistical associating fluid theory (PC-SAFT). It is evidenced that consistent and accurate thermodynamic description of complex cross-associating {ionic liquid + sugar} systems can be achieved by using simple (but physically grounded) molecular schemes, assuming that two adjustable binary corrections are introduced.
Compounds
# Formula Name
1 C9H11N5 1-allyl-3-methylimidazolium dicyanamide
2 C8H11N5O 3-(2-hydroxyethyl)-1-methyl-1H-imidazol-3-ium dicyanoazanide
3 C10H12N6 1-(3-cyanopropyl)-3-methylimidazolium cyanocyanamide
4 C8H10ClN5 1-(2-chloroethyl)-3-methylimidazolium dicyanamide
5 C6H12O6 D-glucose
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
  • Triple point temperature, K ; Glass
  • Glass
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 1
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 15
  • POMD
  • 1
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Falling or rolling sphere viscometry
  • 15
  • POMD
  • 2
  • Triple point temperature, K ; Glass
  • Glass
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 2
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 15
  • POMD
  • 2
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Falling or rolling sphere viscometry
  • 15
  • POMD
  • 3
  • Triple point temperature, K ; Glass
  • Glass
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 3
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 15
  • POMD
  • 3
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Falling or rolling sphere viscometry
  • 15
  • POMD
  • 4
  • Triple point temperature, K ; Glass
  • Glass
  • Liquid
  • Air at 1 atmosphere
  • DSC
  • 1
  • POMD
  • 4
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Vibrating tube method
  • 15
  • POMD
  • 4
  • Viscosity, Pa*s ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Falling or rolling sphere viscometry
  • 15
  • POMD
  • 5
  • 1
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 5; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 5
  • VISOBS
  • 5
  • POMD
  • 5
  • 2
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 5; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 5
  • VISOBS
  • 7
  • POMD
  • 5
  • 3
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 5; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 5
  • VISOBS
  • 6
  • POMD
  • 4
  • 5
  • Solid-liquid equilibrium temperature, K ; Liquid
  • Mole fraction - 5; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Crystal - 5
  • VISOBS
  • 5