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Volume 43 Issue 11
Nov.  2025
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Article Contents
LI Xiaohai, JIANG Dongsheng, CHENG Xianqing, LIU Xiang, DING Zhengyu, JIA Yong, LONG Hongming. Low temperature denitrification performance and reactant adsorption characteristics of MnPO/TiO2 catalysts[J]. ENVIRONMENTAL ENGINEERING , 2025, 43(11): 93-104. doi: 10.13205/j.hjgc.202511011
Citation: LI Xiaohai, JIANG Dongsheng, CHENG Xianqing, LIU Xiang, DING Zhengyu, JIA Yong, LONG Hongming. Low temperature denitrification performance and reactant adsorption characteristics of MnPO/TiO2 catalysts[J]. ENVIRONMENTAL ENGINEERING , 2025, 43(11): 93-104. doi: 10.13205/j.hjgc.202511011

Low temperature denitrification performance and reactant adsorption characteristics of MnPO/TiO2 catalysts

doi: 10.13205/j.hjgc.202511011
  • Received Date: 2024-06-16
  • Accepted Date: 2024-07-30
  • Rev Recd Date: 2024-07-10
  • Available Online: 2026-01-09
  • In the paper, MnPO/TiO2 catalysts was prepared by using MnO x, which has strong electron transport capacity, excellent redox property and environmental friendliness, as the active component, and phosphoric acid was used to modulate the acidity and redox property of Mn/TiO2 catalysts, and their denitrification performance was tested, and the adsorption characteristics of reactant molecules on the surface of the catalysts were simulated by DFT method. The results showed that the highest denitrification activity occurred when the Mn/P was 2, the active component loading was 10%, and the calcination temperature was 350 ℃, and the denitrification efficiency was above 80% at 120 ℃, and above 99% at a temperature range of 150 to 210 ℃. The results of the anti-SO2 test and characterization showed that the Mn2P2O7 could effectively improve the sulfur resistance of the MnPO/TiO2 catalysts. DFT simulation result showed that the adsorption characteristics of NH3 and NO on the surfaces of Mn2P2O7 (111) and Mn3O4 (110), and the adsorption of NO on the surfaces of Mn2P2O7(111) and Mn3O4(110) with N-terminal adsorption, were relatively stronger. The adsorption energies of SO2 on the surfaces of Mn2P2O7(111) and Mn3O4(110) were much larger than those of NO. SO2 was at a disadvantage for competitive adsorption with NO on the catalyst surface. Meanwhile, the adsorption energy of SO2 on the surface of Mn2P2O7(111) was larger than that on the surface of Mn3O4(110), which indicated Mn2P2O7 could improve the sulfur resistance of MnPO/TiO2. The adsorption energy of the H2O molecule on the surface of Mn2P2O7(111) was -129.56 kJ/mol, and on the surface of Mn3O4(110) surface was -135.2 kJ/mol and -133.65 kJ/mol for Mn1 and Mn2, respectively, both of which are chemisorbed.
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