Effect of Co-Doping on Iron-Based Oxygen Carrier for CO Oxidation in Chemical Looping Combustion

Lei Wang; Wu Qin; Xian Bin Xiao; Zong Ming Zheng; Jun Jiao Zhang; Chang Qing Dong; Yong Ping Yang

doi:10.4028/www.scientific.net/AMR.774-776.725

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HomeAdvanced Materials ResearchAdvanced Materials Research Vols. 774-776Effect of Co-Doping on Iron-Based Oxygen Carrier...

Effect of Co-Doping on Iron-Based Oxygen Carrier for CO Oxidation in Chemical Looping Combustion

Abstract:

This paper focuses on theoretical research of Co-doped Fe-based oxygen carrier for CO oxidation in chemical-looping combustion (CLC) system. Density functional theory (DFT) calculations were carried out to study of interaction between CO molecules and CoO/Fe₂O₃ cluster, it is found that dissociation of O atom through breaking of Fe-O bonds in the Fe₂O₃ system is the key step for CO oxidation reaction, and Low-fold O atoms in Fe₂O₃ system could more readily dissociate from external surface. Moreover, the presence of CoO in Fe₂O₃ could decrease activation energy and reaction energy of CO/Co-Fe₂O₃ system, hence the reaction between CO and Fe₂O₃ is promoted.