Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Measurement of CO2 absorption enthalpy and heat capacity of aqueous hexamethylenediamine and its aqueous mixture with N-methyldiethanolamine

Mondal, B. K.[Bikash K.], Bandyopadhyay, S. S.[Syamalendu S.], Samanta, A. N.[Amar N.]
J. Chem. Thermodyn. 2017, 113, 276-290
ABSTRACT
In this work, enthalpy of carbon dioxide (CO2) absorption in aqueous hexamethylenediamine (HMDA) and its blend with N-methyldiethanolamine (MDEA) is measured using an automated reaction calorimeter in the temperature range of (30 60) C. Concentrations of aqueous HMDA solution studied are (10, 20, 30) mass% and that for mixed amine system are (5% HMDA + 25% MDEA), (10% HMDA + 20% MDEA) and (15% HMDA + 15% MDEA). The heat capacity of the unloaded aqueous amine solvents is also measured in the same range of temperature and concentration. The experimental enthalpy of absorption data is presented as a function of CO2 loading (mol CO2 per mol total amine) and temperature. A combined model for the prediction of CO2 absorption enthalpy in aqueous HMDA and (HMDA + MDEA) solvent systems is presented using artificial neural network (ANN) tool. A multi-layer feed-forward network is developed using Levenberg-Marquardt back propagation algorithm. Average absolute deviation between experimental and ANN model predicted data is found to be 0.38%.
Compounds
# Formula Name
1 C2H7NO 2-aminoethan-1-ol
2 C6H16N2 1,6-hexanediamine
3 C5H13NO2 N-methyldiethanolamine
4 CO2 carbon dioxide
5 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
  • 5
  • Molar heat capacity at constant pressure, J/K/mol ; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • isoperibol calorimetry
  • 4
  • POMD
  • 2
  • 5
  • Molar heat capacity at constant pressure, J/K/mol ; Liquid
  • Mole fraction - 2; Liquid
  • Temperature, K; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • isoperibol calorimetry
  • 16
  • POMD
  • 2
  • 5
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 2; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 12
  • POMD
  • 3
  • 2
  • 5
  • Molar heat capacity at constant pressure, J/K/mol ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 3; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • isoperibol calorimetry
  • 20
  • POMD
  • 3
  • 2
  • 5
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 2; Liquid
  • Mole fraction - 3; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 12
  • POMD
  • 3
  • 5
  • Molar heat capacity at constant pressure, J/K/mol ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • isoperibol calorimetry
  • 8
  • POMD
  • 4
  • 1
  • 5
  • Mole fraction - 4 ; Liquid
  • Pressure, kPa; Gas
  • Temperature, K; Liquid
  • Solvent: Mole fraction - 1; Liquid
  • Liquid
  • Gas
  • Volumetric method
  • 10
  • POMD
  • 4
  • 1
  • 5
  • Partial molar enthalpy, kJ/mol - 4 ; Liquid
  • Pressure, kPa; Gas
  • Temperature, K; Liquid
  • Solvent: Mole fraction - 1; Gas
  • Liquid
  • Gas
  • Isoperibol calorimeter
  • 10
  • POMD
  • 2
  • 4
  • 5
  • Mole fraction - 4 ; Liquid
  • Temperature, K; Liquid
  • Solvent: Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • Volumetric method
  • 101
  • POMD
  • 2
  • 4
  • 5
  • Molar enthalpy of solution, kJ/mol ; Liquid
  • Temperature, K; Liquid
  • Solvent: Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Gas
  • ISOPERIBOL
  • 101
  • POMD
  • 1
  • 5
  • Vapor or sublimation pressure, kPa ; Liquid
  • Mole fraction - 1; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • Closed cell (Static) method
  • 1