New method of kinetic modeling for CO2 absorption into blended amine systems: A case of MEA/EAE/3DEA1P trisolvent blends

In order to establish an accurate kinetic model for the aqueous amine blends, monoethanolamine (MEA), 2-(ethylamino) ethanol (EAE), and 3-(diethylamino)-1-propanol (3DEA1P) have been chosen as a typical CO 2 absorption trisolvents. The reaction kinetics of aqueous amine blends with carbon dioxide have been investigated first combining experiments and molecular simulations. The stopped-flow technology has been used to obtain the observed reaction rate constant of the overall reactions over the temperature range of 293 to 313 K and at different amine concentrations. A theoretical kinetic model, based on the first-principles quantum-mechanical simulations, has been put forward to interpret the reactions between CO 2 and the aqueous trisolvent amine blends systems. The proposed model, based on the zwitterion mechanism and the base-catalyzed mechanism, shows good prediction with an acceptable absolute average deviation (AAD) of 6.32%, and has been found to be satisfactory in determining the kinetics of the involved complicated reactions.