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Operando modeling and measurements:Powerful tools for revealing the mechanism of alkali carbonate-based sorbents for CO_(2)capture in real conditions

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Frontiers in Energy 2023年第3期17卷 380-389页

作者： Tianyi CAI Mengshi WANG Xiaoping CHEN Ye WU Jiliang MA Wu ZHOU School of Energy and Power Engineering Shanghai Key Laboratory of Multiphase Flow and Heat Transfer in Power EngineeringUniversity of Shanghai for Science and TechnologyShanghai 200093China Key Laboratory of Energy Thermal Conversion and Control of the Ministry of Education School of Energy and EnvironmentSoutheast UniversityNanjing 210096China Key Laboratory of Thermal Control of Electronic Equipment and Advanced Combustion Laboratory of the Ministry of Industry and Information Technology School of Energy and Power EngineeringNanjing University of Science and TechnologyNanjing 210094China

Alkalicarbonate-based sorbents(ACSs),including Na_(2)CO_(3)-and K2CO_(3)-based sorbents,are promising for CO_(2)***,the complex sorbent components and operation conditions lead to the versatile kinetics of CO_(2)sorption on these *** paper proposed that operando modeling and measurements are powerful tools to understand the mechanism of sorbents in real operating conditions,facilitating the sorbent development,reactor design,and operation parameter *** reviewed the theoretical simulation achievements during the development of *** elucidated the findings obtained by utilizing density functional theory(DFT)calculations,ab initio molecular dynamics(AIMD)simulations,and classical molecular dynamics(CMD)simulations as *** hygroscopicity of sorbent and the humidity of gas flow are crucial to shifting the carbonation reaction from the gas-solid mode to the gas-liquid mode,boosting the ***,it briefly introduced a machine learning(ML)approach as a promising method to aid sorbent ***,it demonstrated a conceptual compact operando measurement system in order to understand the behavior of ACSs in the real operation *** proposed measurement system includes a micro fluidizedbed(MFB)reactor for kinetic analysis,a multi-camera sub-system for 3D particle movement tracking,and a combined Raman and IR sub-system for solid/gas components and temperature *** is believed that this system is useful to evaluate the real-time sorbent performance,validating the theoretical prediction and promoting the industrial scale-up of ACSs for CO_(2)capture.

关键词： CO_(2)capture carbonation theoretical modeling operando techniques reaction visualization

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