화학공학소재연구정보센터
홈 로그인 로그아웃 연락처 사이트맵
Korean Journal of Chemical Engineering, Vol.34, No.7, 2065-2071, July, 2017
DOI10.1007/s11814-017-0092-3  Export Citation
Mechanism of Ce promoting SO2 resistance of MnOx/γ-Al2O3: An experimental and DFT study
Xiaopeng Zhang, Zhuofeng Li, Yuezong Cui, Jijun Zhao1, Bojian Tan, Jinxin Wang, Chengxiang Zhang, and Gaohong He†
  • School of Petroleum and Chemical Engineering, State Key Laboratory of Fine Chemicals, Dalian University of Technology, Panjin 124221, Liaoning, China
  • 1Key Laboratory of Materials Modification by Laser, Ion and Electron Beams (Dalian University of Technology), Ministry of Education, Dalian 116024, China
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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 Mn0.4Cex/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 MnOx 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.
Keywords:Selective Catalytic Reduction;MnOx;Density Functional Theory;Modification;SO2 Poisoning
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