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Study of S poisoning mechanism on LaMnO3 perovskite catalyst surface based on DFT method

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Abstract

The sulfur poisoning mechanism of low-temperature SCR de-NOx catalyst has always been one of the hot spots in academic circles. By studying the surface sulfur poisoning mechanism, low-temperature catalysts can be developed pertinently. In this paper, the mechanism of sulfur poisoning on the surface of LaMnO3 catalyst was studied by DFT method, and the adsorption process of sulfur oxides on the surface and its influence on SCR reaction process, as well as the morphology and decomposition process of ammonium sulfate on the surface were calculated. The results show that sulfur oxides will be adsorbed on the surface and occupy the adsorption site, which will adversely affect the subsequent SCR reaction. At the same time, ammonium sulfate will accumulate on the catalyst surface, which will lead to sulfur poisoning.

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Funding

This work was supported by the Natural Science Foundation of Shandong Province, China, (ZR2021QE295) and 2020 Science and Technology Project of Qingdao West Coast New Area (2020–99).

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Authors and Affiliations

  1. School of Environmental and Municipal Engineering, Qingdao University of Technology, No. 11, Jialingjiangdong Road, Huangdao District, Qingdao, 266520, People’s Republic of China

    Dongdong Ren, Wencong Hao, Siyi Luo & Zongliang Zuo

  2. Shandong Ludong Road and Bridge Co., Ltd, Dongying, 257100, People’s Republic of China

    Wei Li & Pengyun Liu

  3. School of Energy and Environment, Southeast University, Nanjing, 210096, People’s Republic of China

    Keting Gui

Authors
  1. Dongdong Ren
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  2. Wencong Hao
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  3. Wei Li
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  4. Pengyun Liu
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  5. Siyi Luo
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  6. Keting Gui
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  7. Zongliang Zuo
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Contributions

Dongdong Ren: conceptualization, methodology, investigation, writing — original draft. Wencong Hao: data curation, formal analysis. Siyi Luo*: data curation, visualization. Wei Li: formal analysis. Pengyun Liu: formal analysis. Keting Gui: validation, formal analysis. Zongliang Zuo: writing — review and editing.

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Correspondence to Siyi Luo.

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Ren, D., Hao, W., Li, W. et al. Study of S poisoning mechanism on LaMnO3 perovskite catalyst surface based on DFT method. Environ Sci Pollut Res 30, 120315–120328 (2023). https://doi.org/10.1007/s11356-023-30498-5

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  • DOI: https://doi.org/10.1007/s11356-023-30498-5

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