New method of kinetic modeling for <scp>CO<sub>2</sub></scp> absorption into blended amine systems: A case of <scp>MEA</scp>/<scp>EAE</scp>/<scp>3DEA1P</scp> trisolvent blends
Wenchao Zheng, Qinlan Luo, Sen Liu, Nan Wang, Xiao Luo, Hongxia Gao, Zhiwu Liang
Abstract
Abstract 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.