Thermodynamic modeling of liquid–liquid phase change solvents for CO2 capture

Muhammad Waseem Arshad, Nicolas von Solms, Kaj Thomsen

Research output: Contribution to journalJournal articleResearchpeer-review


A thermodynamic model based on Extended UNIQUAC framework has been developed in this work for the de-mixing liquid–liquid phase change solvents, DEEA (2-(diethylamino)ethanol) and MAPA (3-(methylamino)propylamine). Parameter estimation was performed for two ternary systems, H2O-DEEA-CO2 and H2O-MAPA-CO2, and a quaternary system, H2O-DEEA-MAPA-CO2 (phase change system), by using different types of experimental data (equilibrium and thermal) consisting of pure amine vapor pressure, vapor-liquid equilibrium, solid-liquid equilibrium, liquid–liquid equilibrium, excess enthalpy, and heat of absorption of CO2 in aqueous amine solutions. 94 model parameters and 6 thermodynamic properties were fitted to approximately 1500 experimental data. The developed model accurately represents the equilibrium and thermal data for the studied systems with a single unique set of parameters. The model parameters are valid in the temperature range from −25 to 200 °C, CO2 partial pressure from 0 to 945 kPa, and concentration of DEEA, MAPA, and CO2 up to 131, 23, and 33 mol(kg H2O)−1, respectively. The model calculated speciation are also presented for the studied systems. The model developed in this work can be used for process simulation of CO2 capture with aqueous blends of DEEA/MAPA.
Original languageEnglish
JournalInternational Journal of Greenhouse Gas Control
Pages (from-to)401-424
Publication statusPublished - 2016


  • CO2 capture
  • DEEA (2-(diethylamino)ethanol)
  • Extended UNIQUAC
  • Liquid–liquid equilibrium
  • MAPA (3-(methylamino)propylamine)
  • Phase change solvents
  • Thermodynamic modeling

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