New method of kinetic modeling for CO 2 absorption into blended amine systems: A case of MEA / EAE / 3DEA1P trisolvent blends

作者：Wenchao Zheng, Qinlan Luo, Sen Liu, Nan Wang, Xiao Luo, Hongxia Gao, Zhiwu Liang · 发表于：AIChE Journal · 年份：2022 · DOI：10.1002/aic.17628 · 被引用次数：44 · 研究领域：Carbon Dioxide Capture Technologies、Membrane Separation and Gas Transport、Phase Equilibria and Thermodynamics

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.