Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Density studies of 1,8-diazabicyclo[5.4.0]undec-7-ene (DBU)-glycerol and CO2-DBU-glycerol solutions at temperatures between 288.15 K and 328.15 K

Lin, Si, Lu, Houfang, Liu, Yingying, Liu, Changjun, Liang, Bin, Wu, Kejing
J. Chem. Thermodyn. 2018, 123, 8-16
ABSTRACT
The binary system of glycerol and 1,8-diazabicyclo[5.4.0]undec-7-ene (DBU) possesses promising potential for CO2 absorption, and critical physical properties, especially density, analysis are important for its application. In this work, density of DBU-glycerol system before and after CO2 absorption at temperatures between 288.15 K and 328.15 K was studied by the pycnometer method. In DBU-glycerol system, the density decreases with increases in both temperature and DBU concentration. Excess molar volumes (VE) of DBU-glycerol system are negative in the entire composition range and are well correlated with Redlich-Kister equation. Four different models are successfully adopted for correlating and predicting the densities of DBU-glycerol binary solutions. In CO2-DBU-glycerol system, densities are 0 6% higher than that in the DBU-glycerol system when the mass content of CO2 (wCO2) based on the total mass of DBU and glycerol is less than 8%. Two different models were set up to correlate the densities with the mole fraction of DBU, temperatures, and CO2-loadings. The Jouyban-Acree method and the proposed modified proportionality method are preferred respectively for calculating the densities of the CO2-unloaded and CO2-loaded DBU-glycerol mixtures due to their simplicity and precision. The density data are useful in the engineering design for CO2 capture using DBU-glycerol solvent.
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
  • Pycnometric method
  • 9
  • POMD
  • 2
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Pycnometric method
  • 9
  • POMD
  • 1
  • 2
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Pycnometric method
  • 128
  • POMD
  • 1
  • 2
  • 3
  • Mass density, kg/m3 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Mole fraction - 1; Liquid
  • Mass ratio of solute to solvent - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Pycnometric method
  • 211