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Environ Sci Pollut Res Int

Title:		In situ DRIFTS FT-IR and DFT study on Fe-V-W/Ti removal of NO(x) and VOCs
Author(s):		Chen Z; Liao Y; Chen Y; Ma X;
Address:		"School of Electric Power, South China University of Technology, No. 381, Wushan Road, Tianhe District, Guangzhou, 510640, China. Guangdong Province Key Laboratory of Efficient and Clean Energy Utilization, Guangzhou, 510640, China. Guangdong Province Engineering Research Center of High Efficient and Low Pollution Energy Conversion, Guangzhou, 510640, Guangdong, China. School of Electric Power, South China University of Technology, No. 381, Wushan Road, Tianhe District, Guangzhou, 510640, China. yfliao@scut.edu.cn. Guangdong Province Key Laboratory of Efficient and Clean Energy Utilization, Guangzhou, 510640, China. yfliao@scut.edu.cn. Guangdong Province Engineering Research Center of High Efficient and Low Pollution Energy Conversion, Guangzhou, 510640, Guangdong, China. yfliao@scut.edu.cn"
Journal Title:		Environ Sci Pollut Res Int
Year:		2022
Volume:		20220623
Issue:		54
Page Number:		81571 - 81582
DOI:		10.1007/s11356-022-21244-4
ISSN/ISBN:		1614-7499 (Electronic) 0944-1344 (Linking)
Abstract:		"Nitrogen oxides (NO(X)) and volatile organic compounds (VOCs) are generated during the coal-fired power plant's combustion. They can be simultaneously removed in SCR (selective catalytic reduction) region. Herein, the performance of V-W/Ti and Fe-V-W/Ti synthesized by wet impregnation in removing NO(X) and VOCs was evaluated. XPS (X-ray photoelectron spectroscopy) result indicated that a redox cycle of Fe(2+) + V(5+) right harpoon over left harpoon Fe(3+) + V(4+) could form electron vacancy through electron transfer. Besides, the mechanisms of NH(3)-SCR and VOCs catalytic oxidation were explored with in situ DRIFTS experience and DFT calculation. On Fe-V-W/Ti, in situ DRIFTS study found more absorption sites of NH(3), and different intermediates during simultaneously removal process. DFT calculation demonstrated that absorption energy of O(2) was decreased and O = O bond was lengthened with Fe doped. Both V-W/Ti and Fe-V-W/Ti followed the L-H mechanism and shared a common NH(3)-SCR pathway: [Formula: see text]. However, the bidentate nitrate and monodentate nitrate were also revealed on Fe-V-W/Ti, which combined with NH(4)(+) and decomposed into N(2) and H(2)O, or N(2)O and H(2)O, respectively. The detected NH(2) species combined with NO on the Fe-V-W/Ti, following the E-R mechanism. As for VOCs, the intermediates of benzene and toluene were revealed by in situ DRIFTS study, and detailed Mars-van Krevelen mechanism was discovered"
Keywords:		"*Volatile Organic Compounds Ammonia/chemistry Nitrates Titanium Spectroscopy, Fourier Transform Infrared Benzene Catalysis Nitrogen Oxides/chemistry Toluene Coal Dft In situ FT-IR No SCR catalyst;"
Notes:		"MedlineChen, Zhuofan Liao, Yanfen Chen, Yin Ma, Xiaoqian eng 2018YFB0605200/National Key R&D Program of China/ 2013A061401005/Guangdong Key Laboratory of Efficient and Clean Energy Utilization, South China University of Technology/ Germany 2022/06/24 Environ Sci Pollut Res Int. 2022 Nov; 29(54):81571-81582. doi: 10.1007/s11356-022-21244-4. Epub 2022 Jun 23"