Effects of O2 and SO2 on As2O3 adsorption over W-Cu/γ-Al2O3 surface: An experimental combined theoretical analysis

被引：0

作者：

Xing J.-Y. ^{[1
]}

Wang C.-B. ^{[1
]}

Li S. ^{[1
]}

Huang Y.-L. ^{[1
]}

Yue S. ^{[1
]}

机构：

[1] Department of Energy Power & Mechanical Engineering, North China Electric Power University, Hebei Key Laboratory of Low Carbon and High Efficiency Power Generation Technology, Baoding

来源：

Ranliao Huaxue Xuebao/Journal of Fuel Chemistry and Technology | 2022年 / 50卷 / 10期

基金：

中国国家自然科学基金;

关键词：

adsorption; As[!sub]2[!/sub]O[!sub]3[!/sub; DFT; O[!sub]2[!/sub; SO[!sub]2[!/sub; surface; W-Cu/γ-Al[!sub]2[!/sub]O[!sub]3[!/sub;

D O I：

10.19906/j.cnki.JFCT.2022033

中图分类号：

学科分类号：

摘要：

In this work, the effects of O2 and SO2 on gaseous As2O3 adsorption over W-Cu/γ-Al2O3 catalyst were investigated through adsorption experiment and density functional theory (DFT) method. Experimental results show that the As2O3 adsorption is facilitated by O2, and intensified with the increasing concentrations of SO2. However, it is slightly weakened with the SO2 concentration of 2.0×10−3. The As2O3 adsorption on W-Cu/γ-Al2O3 surface with adsorbed gas constituents was calculated by DFT simulation to reveal the effect mechanism. The promoting effect of O2 on arsenic adsorption is attributed to the formation of adsorbed oxygen. The pre-adsorbed O atom significantly enhances the adsorption activities of adjacent atoms, and the pre-adsorbed O2 molecule provides the active sites for As2O3 adsorption. When SO2 is introduced, the SO24− and HSO4− are formed, which change the potential field of substrate surface, and further enhance the As2O3 adsorption. However, the competitive adsorption between SO2 with As2O3 is strengthened with increasing SO2 concentration, and it is the reason for the decreasing trend of As2O3 adsorption with high concentrations of SO2 © 2022 Science Press. All rights reserved.

引用

页码：1324 / 1330

页数：6

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