Thermodynamics Research Center / ThermoML | Thermochimica Acta

Molar heat capacities of choline chloride-based deep eutectic solvents and their binary mixtures with water

Leron, R. B.[Rhoda B.], Li, M.-H.[Meng-Hui]
Thermochim. Acta 2012, 530, 52-7
ABSTRACT
In this study, the molar heat capacities, CP, of three choline chloride-based deep eutectic solvents (DESs), Reline, Ethaline and Glyceline, and their binary mixtures with water were determined. Using a heat flow differential scanning calorimeter, the heat capacities were measured at standard pressure from (303.2 to 353.2) K and over the complete range of composition. The measured CP were reported as functions of temperature and composition. Results showed that the molar heat capacity increased with increasing temperature and, for the binary systems, with increasing DES concentration. For the pure DESs, the temperature-dependence of the experimental data were successfully represented by a second-order empirical correlation using three fitting parameters with an overall average absolute deviation (AAD) of 0.05%. The excess molar heat capacities, CPE, of the binary mixtures were also calculated from the obtained CP data and were found generally negative over the whole composition range while exhibiting negative temperature dependence. The CPE values were fitted to a Redlich-Kister type equation to correlate them to the temperature and DES mole fraction. Consequently, the molar heat capacities of the binary mixtures were calculated. Upon comparison of the experimental and predicted results, the overall AAD was found to be 0.08%. It can be said that the applied models provided satisfactory representations of the experimental CP data as functions of both temperature and composition.
Compounds
# Formula Name
1 H2O water
2 CH4N2O urea
3 C2H6O2 1,2-ethanediol
4 C3H8O3 glycerol
5 C5H14ClNO choline chloride
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
  • 2
  • 5
  • Molar heat capacity at constant pressure, J/K/mol ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 5; Liquid
  • Liquid
  • Small sample (50 mg) DSC
  • 11
  • POMD
  • 5
  • 3
  • Molar heat capacity at constant pressure, J/K/mol ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 5; Liquid
  • Liquid
  • Small sample (50 mg) DSC
  • 11
  • POMD
  • 4
  • 5
  • Molar heat capacity at constant pressure, J/K/mol ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 5; Liquid
  • Liquid
  • Small sample (50 mg) DSC
  • 11
  • POMD
  • 2
  • 5
  • 1
  • Molar heat capacity at constant pressure, J/K/mol ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Solvent: Mole fraction - 5; Liquid
  • Liquid
  • Small sample (50 mg) DSC
  • 55
  • POMD
  • 5
  • 3
  • 1
  • Molar heat capacity at constant pressure, J/K/mol ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Solvent: Mole fraction - 5; Liquid
  • Liquid
  • Small sample (50 mg) DSC
  • 55
  • POMD
  • 4
  • 5
  • 1
  • Molar heat capacity at constant pressure, J/K/mol ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Solvent: Mole fraction - 5; Liquid
  • Liquid
  • Small sample (50 mg) DSC
  • 55