Catalyzed Ethanol Chemical Looping Gasification Mechanism on the Perfect and Reduced Fe 2 O 3 Surfaces

Laixing Luo, Xing Zheng, Jianye Wang, Wu Qin, Xianbin Xiao and Zongming Zheng
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Laixing Luo: National Engineering Laboratory for Biomass Power Generation Equipment, School of New Energy, North China Electric Power University, Beijing 102206, China
Xing Zheng: National Engineering Laboratory for Biomass Power Generation Equipment, School of New Energy, North China Electric Power University, Beijing 102206, China
Jianye Wang: State Key Laboratory of Alternate Electrical Power System with Renewable Energy Sources, North China Electric Power University, Beijing 102206, China
Wu Qin: National Engineering Laboratory for Biomass Power Generation Equipment, School of New Energy, North China Electric Power University, Beijing 102206, China
Xianbin Xiao: National Engineering Laboratory for Biomass Power Generation Equipment, School of New Energy, North China Electric Power University, Beijing 102206, China
Zongming Zheng: National Engineering Laboratory for Biomass Power Generation Equipment, School of New Energy, North China Electric Power University, Beijing 102206, China

Energies, 2021, vol. 14, issue 6, 1-15

Abstract: Biomass chemical looping gasification (CLG) is a novel gasification technology for hydrogen production, where the oxygen carrier (OC) transfers lattice oxygen to catalytically oxidize fuel into syngas. However, the OC is gradually reduced, showing different reaction activities in the CLG process. Fully understanding the CLG reaction mechanism of fuel molecules on perfect and reduced OC surfaces is necessary, for which the CLG of ethanol using Fe 2 O 3 as the OC was introduced as the probe reaction to perform density functional theory calculations to reveal the decomposition mechanism of ethanol into the synthesis gas (including H 2 , CH 4 , ethylene, formaldehyde, acetaldehyde, and CO) on perfect and reduced Fe 2 O 3 (001) surfaces. When Fe 2 O 3 (001) is reduced to FeO 0.375 (001), the calculated barrier energy decreases and then increases again, suggesting that the reduction state around FeO(001) favors the catalytic decomposition of ethanol to produce hydrogen, which proves that the degree of reduction has an important effect on the CLG reaction.

Keywords: gasification; adsorption; biomass; oxygen carrier; DFT (search for similar items in EconPapers)
JEL-codes: Q Q0 Q4 Q40 Q41 Q42 Q43 Q47 Q48 Q49 (search for similar items in EconPapers)
Date: 2021
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