Citation: LI Ji-Hong, LIN Chang-Feng, QIN Wu, XIAO Xian-Bin, WEI Li. Synergetic Effect of Mercury Adsorption on the Catalytic Decomposition of CO over Perfect and Reduced Fe₂O₃[001] Surface[J]. Acta Physico-Chimica Sinica, ;2016, 32(11): 2717-2723. doi: 10.3866/PKU.WHXB201607271 shu

Synergetic Effect of Mercury Adsorption on the Catalytic Decomposition of CO over Perfect and Reduced Fe₂O₃[001] Surface

1.
National Engineering Laboratory for Biomass Power Generation Equipment, School of Renewable Energy Engineering, North China Electric Power University, Beijing 102206, P. R. China;
2.
State Key Laboratory of Urban Water Resource and Environment, Harbin Institute of Technology, Harbin 150090, P. R. China

Received Date: 3 May 2016
Revised Date: 27 July 2016

Fund Project: The project was supported by the National Natural Science Foundation of China (51346001, 51106051) and Fundamental Research Funds for the Central Universities, China (2016YQ07, 2014ZD14).

Mercury emission from coal during chemical-looping combustion (CLC) is an inevitable process, which can lead to adverse interactions with the surface of the oxygen carrier, thereby affecting the interfacial redox reactions. Density functional theory calculations were performed to investigate the mechanism of elemental mercury (Hg⁰) adsorption and the synergetic effect of Hg⁰ on the catalytic decomposition of CO over a perfect surface (Fe₂O₃[001]), as well as a series of reduced surfaces (Fe₂O_2.75, Fe₂O_2.5, Fe₂O_2.25, Fe₂O_1.625, Fe₂O_0.875, Fe₂O_0.375 and Fe) during a deep CLC process. In this study, Hg⁰ was physically adsorbed on to a perfect Fe₂O₃ surface, and then chemically adsorbed on to a series of reduced surfaces. The adsorption of Hg⁰ inhibited the formation of meaningful interactions between CO and Fe₂O₃[Fe₂O_2.75, Fe₂O_2.5 and Fe₂O_2.25] and hindered the efficient transport of oxygen to oxidize CO into CO₂. In contrast, this process promoted the interactions between CO and Fe₂O_1.625[Fe₂O_0.875, Fe₂O_0.375, and Fe], favoring the catalytic decomposition of CO on these surfaces, which accelerated the carbon deposit reducing CLC efficiency. Rationally controlling the reduction degree of the oxygen carrier could therefore be used to either decrease the adsorption of Hg⁰ or depress the deposition of carbon, which are both crucial for the optimization of CLC processes.
- Chemical looping combustion,
- Oxygen carrier,
- Mercury,
- CO₂ capture,
- Density functional theory
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沈阳化工大学材料科学与工程学院沈阳 110142

Synergetic Effect of Mercury Adsorption on the Catalytic Decomposition of CO over Perfect and Reduced Fe2O3[001] Surface

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通讯作者: 陈斌, bchen63@163.com

Synergetic Effect of Mercury Adsorption on the Catalytic Decomposition of CO over Perfect and Reduced Fe₂O₃[001] Surface