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个人信息Personal Information
教授
博士生导师
硕士生导师
任职 : 精细化工全国重点实验室主任，教育部智能材料化工前沿科学中心执行主任，大连理工大学膜科学与技术研究开发中心主任
性别：女
毕业院校：中国科学院大连化物所
学位：博士
所在单位：化工学院
学科：化学工程. 膜科学与技术. 生物医学工程
联系方式：hgaohong@dlut.edu.cn
电子邮箱：hgaohong@dlut.edu.cn
Mechanism of Ce promoting SO2 resistance of MnO (x) /gamma-Al2O3: An experimental and DFT study
点击次数：
论文类型：期刊论文
发表时间：2017-07-01
发表刊物：KOREAN JOURNAL OF CHEMICAL ENGINEERING
收录刊物：SCIE、Scopus
卷号：34
期号：7
页面范围：2065-2071
ISSN号：0256-1115
关键字：Selective Catalytic Reduction; MnOx; Density Functional Theory; Modification; SO2 Poisoning
摘要：Various physico-chemical techniques and theoretical chemistry computations are used to obtain a deep insight into the mechanism of Ce improving SO2 resistance of the catalyst Mn0.4Ce (x) /Al2O3 (x stands for the molar ratio of Ce : Al). Theoretical computation with density functional theory (DFT) shows that Ce modification enhances the adsorption energy of SO2 adsorbed on Ce surrounding, resulting in the preferential adsorption of SO2 on Ce surrounding. It protects the surface Mn from SO2 poisoning, leading to a better SO2 resistance. FT-IR and TG results are in good accordance with DFT results. FT-IR results suggest that absorption peaks related to SO4 (2-) cannot be detected in Mn0.4Ce0.12/Al2O3. Moreover, TG results show that weight loss peaks due to sulfated MnO (x) decomposition disappears after Ce addition. Therefore, Ce modification inhibits sulfates formation on active components lead to a better resistance to SO2 of Mn0.4Ce0.12/Al2O3.