Theoretical study on influence of CaO and MgO on the reduction of FeO by CO

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• 作者：Hong Zhong^a ; ^b ; Dequan Er^a ; Liangying Wen^b ; ^{wlycqu@163.com}
• 关键词：Density functional theory ; CaO ; MgO ; FeO ; CO ; Reaction pathway
• 刊名：Applied Surface Science
• 出版年：2017
• 出版时间：31 March 2017
• 年：2017
• 卷：399
• 期：Complete
• 页码：630-637
• 全文大小：3506 K
• 卷排序：399

文摘

The reduction reaction of FeO by CO has been investigated on the atomic scale to reveal the influence of CaO and MgO on reduction reaction. The CaO will accelerate the reduction reactions in the initial stage of reactions, however, will slow down the reactions in the posterior stage. The MgO will promote the reduction reactions in both the initial and the posterior stages of reactions.