Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Investigation of solubilities of carbon dioxide in five levulinic acid-based deep eutectic solvents and their thermodynamic properties

Deng, D.[Dongshun], Jiang, Y.[Yaotai], Liu, X.[Xiaobang], Zhang, Z.[Zhiliang], Ai, N.[Ning]
J. Chem. Thermodyn. 2016, 103, 212-217
ABSTRACT
Solubilities of CO2 have been determined in five deep eutectic solvents (DESs) at temperatures (303.15 333.15) K with 10 K intervals under a pressure of (0 600.0) kPa using isochoric saturation method. These DESs were prepared from levulinic acid (LA) and quaternary ammonium salt (acetylcholine chloride, ACC; tetraethylammonium chloride, TEAC; tetraethylammonium bromide, TEAB; tetrabutylammonium chloride, TBAC; and tetrabutylammonium bromide, TBAB) with the mole ratio of 3:1. Henry s constants and thermodynamic properties such as Gibbs energy, enthalpy and entropy of dissolution were deduced by correlating the solubility data. Results demonstrated that the solubility of CO2 in DESs increased with the increasing pressure or the decreasing temperature. The enthalpies of dissolution were all exothermal in each condition. The Henry s law constants based on mole fraction and molality of CO2 in DESs vary from (12.30 to 28.66) MPa and (1.79 to 3.94) MPa, respectively.
Compounds
# Formula Name
1 CO2 carbon dioxide
2 C5H8O3 4-oxopentanoic acid
3 C7H16ClNO2 acetylcholine chloride
4 C8H20ClN tetraethylammonium chloride
5 C8H20BrN tetraethylammonium bromide
6 C16H36ClN tetrabutylammonium chloride
7 C16H36BrN tetrabutylammonium bromide
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
  • 2
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 2; Liquid
  • Liquid
  • Pycnometric method
  • 4
  • POMD
  • 4
  • 2
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 2; Liquid
  • Liquid
  • Pycnometric method
  • 4
  • POMD
  • 5
  • 2
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 2; Liquid
  • Liquid
  • Pycnometric method
  • 4
  • POMD
  • 2
  • 6
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 2; Liquid
  • Liquid
  • Pycnometric method
  • 4
  • POMD
  • 2
  • 7
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 2; Liquid
  • Liquid
  • Pycnometric method
  • 4
  • POMD
  • 3
  • 2
  • 1
  • Molality, mol/kg - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa - 1; Gas
  • Solvent: Mole fraction - 2; Liquid
  • Liquid
  • Gas
  • voulmetric method
  • 28
  • POMD
  • 4
  • 2
  • 1
  • Molality, mol/kg - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa - 1; Gas
  • Solvent: Mole fraction - 2; Liquid
  • Liquid
  • Gas
  • voulmetric method
  • 28
  • POMD
  • 5
  • 2
  • 1
  • Molality, mol/kg - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa - 1; Gas
  • Solvent: Mole fraction - 2; Liquid
  • Liquid
  • Gas
  • voulmetric method
  • 28
  • POMD
  • 2
  • 1
  • 6
  • Molality, mol/kg - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa - 1; Gas
  • Solvent: Mole fraction - 2; Liquid
  • Liquid
  • Gas
  • voulmetric method
  • 28
  • POMD
  • 2
  • 1
  • 7
  • Molality, mol/kg - 1 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa - 1; Gas
  • Solvent: Mole fraction - 2; Liquid
  • Liquid
  • Gas
  • voulmetric method
  • 26