Citation: QIN Wu, LIN Chang-Feng, LONG Dong-Teng, XIAO Xian-Bin, DONG Chang-Qing. Reaction Activity and Deep Reduction Reaction Mechanism of a High Index Iron Oxide Surface in Chemical Looping Combustion[J]. Acta Physico-Chimica Sinica, ;2015, 31(4): 667-675. doi: 10.3866/PKU.WHXB201502061 shu

Reaction Activity and Deep Reduction Reaction Mechanism of a High Index Iron Oxide Surface in Chemical Looping Combustion

1.
National Engineering Laboratory for Biomass Power Generation Equipment, School of Renewable Energy Engineering, North China Electric Power University, Beijing 102206, P. R. China

Received Date: 13 October 2014
Available Online: 6 February 2015
Fund Project: 国家自然科学基金(51106051) (51106051) 111计划(B12034) (B12034)中央高校基金(2014MS36, 2014ZD14)资助项目 (2014MS36, 2014ZD14)

The possibility of morphological control of iron oxide as an oxygen carrier for chemical looping combustion was investigated using density functional theory and experiment. First, we calculated the reactivity of Fe₂O₃ with high- index facets [104] and low- index facets [001], as well as the deep reduction reaction mechanism of these two facets. Surface reaction results show that the activity of Fe₂O₃[104] for oxidizing CO is greater than that of Fe₂O₃[001]. Fe₂O₃[104] was reduced into iron oxide at lower oxidation state or into iron, which could then be regenerated after being oxidized by O₂. The deep reduction reaction mechanism between oxygen carrier and CO shows that Fe₂O₃[104] can be completely reduced into Fe, and Fe₂O₃[104] exhibits high oxygen transfer ability. However, Fe₂O₃[001] can only be reduced to a limited extent, with a high energy barrier preventing further reduction, while it also exhibits limited oxygen transfer capacity. Results of experiments further verify the high reactivity and stability of Fe₂O₃[104].
- Combustion,
- Surface,
- Adsorption,
- Fe₂O₃,
- Density functional theory
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