MnPO/TiO<sub>2</sub>催化剂低温脱硝性能及反应物吸附特性研究

李小海; 姜东生; 程贤卿; 刘翔; 丁正宇; 贾勇; 龙红明

doi:10.13205/j.hjgc.202511011

MnPO/TiO₂催化剂低温脱硝性能及反应物吸附特性研究

doi: 10.13205/j.hjgc.202511011

1. 大唐南京环保科技有限责任公司, 南京 211111;
2. 安徽工业大学环境科学与工程系, 安徽马鞍山 243002;
3. 安徽工业大学冶金工程系, 安徽马鞍山 243032

基金项目:

冶金减排与资源综合利用教育部重点实验室开放基金（JKF23-04）

详细信息

作者简介:
李小海（1985—），男，高级工程师，主要从事脱硝催化剂研发与应用研究。lixiaohai5613@163.com

通讯作者:
贾勇，教授，主要从事烟气脱硝方面的研究。jiayong2000@163.com

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出版历程
- 收稿日期: 2024-06-16
- 录用日期: 2024-07-30
- 修回日期: 2024-07-10
- 网络出版日期: 2026-01-09

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

1. Datang Nanjing Environment Protection Technology Co., Ltd., Nanjing 211111, China;
2. Department of Environmental Science and Engineering, Anhui University of Technology, Maanshan 243002, China;
3. Department of Metallurgical Engineering, Anhui University of Technology, Maanshan 243032, China

摘要

摘要: 以具有较强电子传输能力、优异的氧化还原性和环境友好性的MnO _x 为活性组分，利用磷酸调节Mn/TiO₂的酸性和氧化还原性能，制备了MnPO/TiO₂催化剂，并对其脱硝性能进行测试，同时采用DFT方法对反应物分子在催化剂表面的吸附特性进行了模拟。结果表明：当n（Mn）/n（P）=2，活性组分负载量为10%，煅烧温度为350 ℃时，催化剂的脱硝活性最好；反应温度为120 ℃时，脱硝率>80%；反应温度为150~210 ℃时，脱硝率>99%。抗硫抗水性测试和表征分析结果显示，Mn₂P₂O₇可有效提高MnPO/TiO₂催化剂的抗硫性能。DFT模拟结果表明：NH₃和NO在Mn₂P₂O₇（111）和Mn₃O₄（110）表面都发生稳定的化学吸附，并且NO以N端吸附在Mn₂P₂O₇（111）和Mn₃O₄（110）表面的吸附作用相对较强。SO₂在Mn₂P₂O₇（111）和Mn₃O₄（110）表面的吸附能均远大于NO的吸附能，SO₂与NO在催化剂表面竞争吸附处于劣势。同时，SO₂在Mn₂P₂O₇（111）表面的吸附能比在Mn₃O₄（110）表面的吸附能大，说明SO₂在Mn₂P₂O₇表面的吸附能力更弱，Mn₂P₂O₇能够提升MnPO/TiO₂催化剂的抗硫性能。H₂O分子在Mn₂P₂O₇（111）表面的吸附能为-129.56 kJ/mol，在Mn₃O₄（110）表面的吸附能分别为-135.2，-133.65 kJ/mol（Mn1、Mn2），均为化学吸附。
- MnPO /
- SCR脱硝 /
- 抗硫性 /
- DFT模拟 /
- 吸附特性
Abstract: 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/TiO₂catalysts， 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 Mn₂P₂O₇could 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.
- MnPO /
- SCR denitrification /
- sulfur resistance /
- DFT simulation /
- adsorption characteristics

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