Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Vapor-liquid equilibrium measurement and ENRTL Modeling of CO2 absorption in aqueous hexamethylenediamine

Mondal, B. K.[Bikash K.], Bandyopadhyay, S. S.[Syamalendu S.], Samanta, A. N.[Amar N.]
Fluid Phase Equilib. 2015, 402, 102-112
ABSTRACT
In this work, a new experimental data of CO2 solubility in aqueous solution of Hexamethylenediamine (HMDA) have been generated at 30, 40, 50 and 60oC in the CO2 partial pressure range of 1-100kPa. Concentration of aqueous HMDA used for solubility measurement ranges from 10 to 30 mass%. Electrolyte Non-Random Two Liquid (ENRTL) theory is used to correlate and predict vapor-liquid equilibrium (VLE) data. Model predicted data show good agreement with the experimental VLE data with an average absolute deviation of 11.0%. The ENRTL parameters are regressed from the experimental data of CO2 solubility using the data regression system (DRS) of Aspen Plus (V 7.3).The ENRTL model is also used to predict equilibrium liquid phase speciation, solvent capacity, pH of the solution and heat of absorption of CO2 in aqueous HMDA solution.
Compounds
# Formula Name
1 C6H16N2 1,6-hexanediamine
2 C2H7NO 2-aminoethan-1-ol
3 CO2 carbon dioxide
4 H2O water
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
  • 3
  • 4
  • Mole fraction - 3 ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 4; Liquid
  • Liquid
  • Gas
  • Phase equilibration
  • 100
  • POMD
  • 3
  • 2
  • 4
  • Mole fraction - 3 ; Liquid
  • Pressure, kPa; Liquid
  • Mole fraction - 4; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Phase equilibration
  • 10