文献类型：期刊文献

英文题名：Effect of Oxygen Functional Groups on Selenium Removal by the Carbonaceous Adsorbent from Msw Incineration Flue Gas

作者：Yu, Shuaijie[1,2]; Li, Shuai[2]; Hu, Hongyun[2,3]; Gao, Linxia[1]; Lin, Zhong[5]; Zou, Chan[4]; Dong, Lu[2]; Huang, Yongda[2]; Yao, Hong[2]

机构：[1] Hubei University of Technology, School of Civil & Environment Engineering, Wuhan, 430068, China; [2] State Key Laboratory of Coal Combustion, School of Energy and Power Engineering, Huazhong University of Science and Technology, Wuhan, 430074, China; [3] Research Institute of Huazhong University of Science and Technology in Shenzhen, Shenzhen, 518000, China; [4] School of Safety Science and Emergency Management, Wuhan University of Technology, Wuhan, 430070, China; [5] Faculty of Chemistry and Environmental Science, Guangdong Ocean University, Zhanjiang, 524088, China

年份：2025

外文期刊名：SSRN

收录：EI(收录号：20250125867)

语种：英文

外文关键词：Air pollution - Bioremediation - Carbonaceous adsorbents - Effluent treatment - Flue gases - Gas adsorption - Selenium compounds - Waste incineration

外文摘要：Activated carbon is extensively used to remove gaseous pollutants from municipal solid waste (MSW) incineration flue gas due to its large specific surface area and abundance of active sites. This study investigated the adsorption mechanism of oxygen-containing functional groups on activated carbon (AC) surfaces toward SeO2 (g) in MSW incineration flue gas through combined experiments and density functional theory (DFT) calculations. To elucidate the mechanism of oxygen-containing functional groups, the activated carbon with a low content of oxygen-containing functional groups (PAC) was first treated by acid washing. Then the adsorption experiments were carried out on a selenium adsorption setup to compare the adsorption performance between AC and PAC. The results demonstrated that oxygen-containing functional groups significantly enhanced the selenium adsorption capacity of AC, with the maximum adsorption capacity reaching 2620.09 μg/g, representing a 63.6% increase compared to PAC (1600.68 μg/g). Morphological distribution of selenium on the surface of activated carbon after adsorption revealed that selenium adsorbed on AC primarily existed as Se4+ (> 90%), confirming that oxygen-containing functional groups strengthened chemisorption and partial oxidation of SeO2 via Se-O-C covalent bond formation. DFT calculations further verified the superior adsorption performance of the Zig carbon model for SeO2 (-252.08 kJ/mol). Oxygen-containing functional groups (e.g., hydroxyl and lactone) markedly reduced the adsorption energy of SeO2 by providing electron-active sites, achieving the most stable adsorption energy of -636.59 kJ/mol. This study provides a theoretical foundation for the application of activated carbon to enhance selenium emission control during MSW incineration. ? 2025, The Authors. All rights reserved.