Microscopic impact mechanism of alkali earth metal poisoning and Ce modification on the deNOx over the ?-Fe2O3 (001) surface

被引：6

作者：

Geng, Xuan ^{[1
]}

Zhu, Baozhong ^{[1
]}

Sun, Yunlan ^{[1
]}

Chen, Jiuyu ^{[1
]}

Zhou, XinJian ^{[1
]}

Li, Mengchen ^{[1
]}

Xu, Minggao ^{[2
]}

机构：

[1] Changzhou Univ, Sch Petr & Nat Gas Engn, Changzhou 213164, Jiangsu, Peoples R China

[2] Univ Sci & Technol China, Ctr Adv Combust & Energy, Hefei 230026, Anhui, Peoples R China

来源：

APPLIED SURFACE SCIENCE | 2023年 / 608卷

基金：

中国国家自然科学基金;

关键词：

SCR; Ca poisoning; Ce modification; Reaction mechanism; DFT; SELECTIVE CATALYTIC-REDUCTION; DENSITY-FUNCTIONAL THEORY; SCR REACTION; NH3; NO; ADSORPTION; DFT; DEACTIVATION; OXIDATION; NH3-SCR;

D O I：

10.1016/j.apsusc.2022.155178

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Ce-doped gamma-Fe2O3 catalyst has excellent deNOx and poisoning resistance. However, the NH3-SCR mechanism of improving of Ca poisoning by Ce at atomic level is still unclear. Therefore, the effects of alkali earth metal Ca poisoning on the gamma-Fe2O3 (001) surface and Ce modified Ca-gamma-Fe2O3 (001) surface in the selective catalytic reduction (SCR) of NOx by NH3 were studied. gamma-Fe2O3 catalyst poisoned by Ca results from the decrease of surface acidity and the improvement of stable nitrite/nitrate species. Ce brings extra Lewis acid sites for the NH3 adsorption when it is used to modify the poisoned catalyst, which improves the NH3 adsorption and activation. The adsorption of NO and O2 as well as the decomposition of O2 may be inhibited by the presence of Ce. Most of the stable, inactive nitrite/nitrate species are active and decomposed. The production of NH2 is aided by the enhancement of the dehydrogenation process of NH3. This study provides a direction for prolonging the service life of low-temperature Fe-based deNOx catalysts in industrial cement furnaces.

引用

页数：12

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