Experimental and DFT Analysis To Anchor the Role of SO2 in the Heterogeneous NO Reduction over a Char Surface: SOx-Mediated Oxygen Rearrangement DOI
Ji Liu, Yuan‐gu Xia,

Huai-de Sun

et al.

Energy & Fuels, Journal Year: 2024, Volume and Issue: 38(20), P. 19727 - 19738

Published: Oct. 7, 2024

The heterogeneous reduction of NO by char is important for source control during the combustion organic solid wastes. SO2 manifests a significant impact char–NO reaction, yet inherent mechanism still vague. In present study, fixed-bed experiments, in-situ X-ray photoelectron spectroscopy (in-situ XPS), and density functional theory (DFT) calculations were combined to offer empirical theoretical evidence on detailed reaction. Herein, we propose surface SOx-mediated oxygen rearrangement (SOx-MOR) first time. can directly promote intervening in process. addition, O2 play synergetic role enhancing reduction. be oxidated into SO3 adsorbed edge, impeding fast oxidation O2, Meanwhile, reduced via SO3-MOR mechanism, which possesses thermodynamic priority lower than that SO2-MOR mechanism. In-situ XPS results further verified chemical behaviors SOx higher competitiveness study lays foundation SO2.

Language: Английский

Experimental and DFT Analysis To Anchor the Role of SO2 in the Heterogeneous NO Reduction over a Char Surface: SOx-Mediated Oxygen Rearrangement DOI
Ji Liu, Yuan‐gu Xia,

Huai-de Sun

et al.

Energy & Fuels, Journal Year: 2024, Volume and Issue: 38(20), P. 19727 - 19738

Published: Oct. 7, 2024

The heterogeneous reduction of NO by char is important for source control during the combustion organic solid wastes. SO2 manifests a significant impact char–NO reaction, yet inherent mechanism still vague. In present study, fixed-bed experiments, in-situ X-ray photoelectron spectroscopy (in-situ XPS), and density functional theory (DFT) calculations were combined to offer empirical theoretical evidence on detailed reaction. Herein, we propose surface SOx-mediated oxygen rearrangement (SOx-MOR) first time. can directly promote intervening in process. addition, O2 play synergetic role enhancing reduction. be oxidated into SO3 adsorbed edge, impeding fast oxidation O2, Meanwhile, reduced via SO3-MOR mechanism, which possesses thermodynamic priority lower than that SO2-MOR mechanism. In-situ XPS results further verified chemical behaviors SOx higher competitiveness study lays foundation SO2.

Language: Английский

Citations

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