Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Measurements and modeling of CO2 solubility in 1,8-diazabicyclo-[5.4.0]-undec-7-ene - glycerol solutions

Ostonen, A.[Alexandr], Sapei, E.[Erlin], Uusi-Kyyny, P.[Petri], Klemela, A.[Aliisa], Alopaeus, V.[Ville]
Fluid Phase Equilib. 2014, 374, 25-36
ABSTRACT
The solubility of CO2in pure 1,8-diazabicyclo-[5.4.0]-undec-7-ene (DBU) and pure glycerol were deter-mined with the static total pressure method. Additionally, a switchable ionic liquid was formed by dissolving CO2into DBU glycerol mixtures. All measurements were conducted at temperatures from302 to 353 K. In addition, density of DBU was measured at temperatures from 293 to 358 K. The solubility of CO2into DBU glycerol solutions was slightly temperature dependent at the measured temperature range. CO2solubility was found to depend strongly on the composition of DBU glycerol solution and the partial pressure of CO2. Highest loadings to DBU were achieved with glycerol rich mixtures. A model taking into account the effect of DBU:glycerol ratio was developed. A CO2 molecule bound to the glycerol hydroxyl group was assumed to hinder reactivity of the remaining hydroxyl groups in the glycerol molecule, therefore affecting CO2solubility in the solution. In the model, the equilibrium reactions between CO2, DBU and the hydroxyl groups of glycerol were simplified to two reactions. In addition, the physical solubility of CO2in pure DBU and glycerol was measured and modeled. The physical solubility model was used in modeling CO2solubility in DBU glycerol solutions.
Compounds
# Formula Name
1 C9H16N2 1,8-diaza-7-bicyclo[5.4.0]undecene
2 C3H8O3 glycerol
3 CO2 carbon dioxide
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
  • 14
  • POMD
  • 2
  • 3
  • Mole fraction - 3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa - 3; Gas
  • Liquid
  • Gas
  • Volumetric method
  • 19
  • POMD
  • 3
  • 1
  • Mole fraction - 3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa - 3; Gas
  • Liquid
  • Gas
  • Volumetric method
  • 20
  • POMD
  • 2
  • 3
  • 1
  • Mole fraction - 3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Solvent: Mole fraction - 1; Liquid
  • Liquid
  • Gas
  • Volumetric method
  • 57