Study of the NH3-SCR Mechanism on LaMnO3 Surfaces Based on the DFT Method

被引：2
|
作者：
Ren, Dongdong [1 ]
Wu, Kai [2 ]
Luo, Siyi [1 ]
Li, Yongjie [1 ]
Gui, Keting [3 ]
Zuo, Zongliang [1 ]
Guo, Xianjun [4 ]
机构：
[1] Qingdao Univ Technol, Sch Environm & Municipal Engn, Qingdao 266520, Peoples R China
[2] China Tobacco Jiangsu Ind Co Ltd, Technol Ctr, Nanjing 210019, Peoples R China
[3] Southeast Univ, Sch Energy & Environm, Nanjing 210096, Peoples R China
[4] Yantai Univ, Sch Environm & Mat Engn, Yantai 264005, Peoples R China
来源：
ENERGIES | 2022年 / 15卷 / 23期
关键词：
LaMnO3; NH3-SCR; DFT; NOx removal; SELECTIVE CATALYTIC-REDUCTION; NITRIC-OXIDE REDUCTION; SCR REACTION; FT-IR; NO; NH3; ADSORPTION; AMMONIA; OXIDATION; OXYGEN;
D O I：
10.3390/en15239099
中图分类号：
TE [石油、天然气工业]; TK [能源与动力工程];
学科分类号：
0807 ; 0820 ;
摘要：
LaMnO3 with perovskite structure is a SCR de-NOx catalyst with good performance at low temperatures. In this paper, the SCR reaction process on the 010 surface of LaMnO3 catalyst was studied by DFT method, to guide the development of catalysts and their effective application. The results obtained through research indicate that both E-R and L-H mechanisms exist on the catalyst surface. The NH3 molecule can be absorbed on L acid and then oxidized by lattice oxygen to form NH2. Then, NH2 can react with the NO molecule to form NH2NO and decompose to N-2 and H2O. The NH3 can also be absorbed with hydroxyl to form NH4+, it can also react with NO to form NH2NO and then decompose. The NH4+ also can react with NO3- which is formed by NO oxidized when O-2 is present, to participate in the rapid SCR process.
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页数：18
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