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New method of kinetic modeling for CO2 absorption into blended amine systems: A case of MEA/EAE/3DEA1P trisolvent blends |
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| Authors: | Wenchao Zheng Qinlan Luo Sen Liu Nan Wang Xiao Luo Hongxia Gao Zhiwu Liang |
| Affiliation: | 1. Joint International Center for CO2 Capture and Storage (iCCS), Provincial Hunan Key Laboratory for Cost-effective Utilization of Fossil Fuel Aimed at Reducing Carbon-dioxide Emissions, College of Chemistry and Chemical Engineering, The Engineering Research Center of Advanced Catalysis, Ministry of Education, Hunan University, Changsha, China Contribution: Data curation (lead), Investigation (lead), Methodology (lead), Writing - original draft (lead);2. Joint International Center for CO2 Capture and Storage (iCCS), Provincial Hunan Key Laboratory for Cost-effective Utilization of Fossil Fuel Aimed at Reducing Carbon-dioxide Emissions, College of Chemistry and Chemical Engineering, The Engineering Research Center of Advanced Catalysis, Ministry of Education, Hunan University, Changsha, China Contribution: Software (lead), Writing - review & editing (supporting);3. Joint International Center for CO2 Capture and Storage (iCCS), Provincial Hunan Key Laboratory for Cost-effective Utilization of Fossil Fuel Aimed at Reducing Carbon-dioxide Emissions, College of Chemistry and Chemical Engineering, The Engineering Research Center of Advanced Catalysis, Ministry of Education, Hunan University, Changsha, China Contribution: Investigation (supporting), Methodology (supporting), Software (supporting);4. Joint International Center for CO2 Capture and Storage (iCCS), Provincial Hunan Key Laboratory for Cost-effective Utilization of Fossil Fuel Aimed at Reducing Carbon-dioxide Emissions, College of Chemistry and Chemical Engineering, The Engineering Research Center of Advanced Catalysis, Ministry of Education, Hunan University, Changsha, China Contribution: Investigation (supporting);5. Joint International Center for CO2 Capture and Storage (iCCS), Provincial Hunan Key Laboratory for Cost-effective Utilization of Fossil Fuel Aimed at Reducing Carbon-dioxide Emissions, College of Chemistry and Chemical Engineering, The Engineering Research Center of Advanced Catalysis, Ministry of Education, Hunan University, Changsha, China |
| 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 CO2 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 CO2 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. |
| Keywords: | AIMD CO2 absorption reaction kinetic stopped-flow technology trisolvent blends |