Mechanistic stages of the SCR reaction – Insights into the trade-off between NO reduction and NH3 oxidation over CuSSZ-13 catalysts via isotopic 15NH3 and 18O2 TPSR and steady state studies supported by IR 2D COS and DFT modeling

Fedyna, Monika; Mozgawa, Bartosz; Zasada, Filip; Góra‐Marek, Kinga; Gryboś, Joanna; Piskorz, Witold; Yin, Chengyang; Zhao, Zhen; Pietrzyk, Piotr; Sojka, Zbigniew

doi:10.1016/j.apcatb.2022.122309

Cited by 13 publications

(7 citation statements)

References 67 publications

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“…In the terms of global warming, all actions leading to the reduction in gas emissions are an essential element of the policies for preventing climate change. Furthermore, zeolites have been found to be efficient catalysts in deNOx reactions [ 79 , 80 , 81 ]; however, limited works are devoted to N 2 O selective catalytic reduction (SCR) [ 82 ].…”

Section: Resultsmentioning

confidence: 99%

Zeolite Composite Materials from Fly Ash: An Assessment of Physicochemical and Adsorption Properties

et al. 2023

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Waste fly ash, with both low (with the addition of vermiculite) and high contents of unburned coal, were subjected to hydrothermal syntheses aiming to obtain zeolite composite materials—zeolite + vermiculite (NaX–Ver) and zeolite + unburned carbon (NaX–C). The composites were compared with parent zeolite obtained from waste fly ash with a low content of unburned carbon (NaX–FA). In this study, the physicochemical characteristics of the obtained materials were evaluated. The potential application of the investigated zeolites for the adsorption of ammonium ions from aqueous solutions was determined. Composite NaX–Ver and parent zeolite NaX–FA were characterized by comparable adsorption capacities toward ammonium ions of 38.46 and 40.00 mg (NH4+) g−1, respectively. The nearly 2-fold lower adsorption capacity of composite NaX–C (21.05 mg (NH4+) g−1) was probably a result of the lower availability of ion exchange sites within the material. Adsorbents were also regenerated using 1 M NaCl solution at a pH of 10 and subjected to 3 cycles of adsorption–desorption experiments, which proved only a small reduction in adsorption properties. This study follows the current trend of waste utilization (fly ash) and the removal of pollutants from aqueous solutions with respect to their reuse, which remains in line with the goals of the circular economy.

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Section: Resultsmentioning

confidence: 99%

Zeolite Composite Materials from Fly Ash: An Assessment of Physicochemical and Adsorption Properties

et al. 2023

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“…The specific preparation process is as follows (as shown in Figure 1): (1) A certain amount of ammonium nitrate was added to deionized water and stirred to dissolve. (2) The commercial H/SSZ-13 catalyst was put into the ammonium nitrate solution at 80 °C and stirred for 12 h. (3) After vacuum filtering and washing, the previous resultant sample was put into a drying oven for 12 h to obtain solid NH 4 /SSZ-13 samples. (4) A certain amount of copper nitrate was put in deionized water and stirred for 2 h to fully dissolve.…”

Section: Synthesis Of Cu/ssz-13mentioning

confidence: 99%

“…NO x , including NO and NO 2 , is one of the main atmospheric pollutants, which will not only produce acid rain but also react with hydrocarbons under ultraviolet light to form photochemical smog, which threatens people’s health and damages the ecological environment. − Among the wide sources of NO x , diesel vehicle NO x emission accounts for a considerable proportion. Therefore, in order to limit NO x emission, the world has introduced laws and regulations on the NO x emission of diesel engines.…”

Section: Introductionmentioning

confidence: 99%

Study on Effect and Mechanism of Alkaline Earth Metal Poisoning on Cu/SSZ-13 Catalysts for Selective Catalytic Reduction of NO_x with NH₃

Guan

Chen

Guo

et al. 2023

Ind. Eng. Chem. Res.

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In order to study the poisoning effect of the alkaline earth metal on Cu/SSZ-13 and reveal the poisoning mechanism, Cu/SSZ-13 zeolite catalysts were synthesized by the ion-exchange method and poisoned by different concentrations of Mg and Ca. The results of SCR tests and characterizations showed that the SCR activity of Cu/SSZ-13 catalysts decreased obviously after Mg or Ca poisoning, which is because Mg and Ca reduced the Cu 2+ species and Brønsted acid sites in Cu/SSZ-13, while increasing the content of Cu x O y . Furthermore, Mg and Ca on the catalyst surface could block the pores of the zeolite and then decrease the specific surface area of the catalysts, and Ca could further cause partial collapse of the zeolite skeleton. Through this article, the effect and mechanism of alkali earth metal poisoning of Cu/SSZ-13 were revealed, which provided data and theory support for the development of efficient Cu/SSZ-13 NH 3 -SCR catalysts with high alkali earth metal resistance.

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“…Fedyna et al also revealed the SCR reaction mechanism over CuSSZ-13 zeolites through DFT calculations. 95 Notably, SCR reactions involving NO 2 predominantly occur at Bronsted acid sites, highlighting their significance in the NO 2 -related processes.…”

Section: Exploration Of Reaction Mechanismsmentioning

confidence: 99%

Section: Application Of Dft Calculation In Environmental Catalysis Fo...mentioning

confidence: 99%

Recent Progress on Density Functional Theory Calculations for Catalytic Control of Air Pollution

Ma,

Xiong,

Zhang

et al. 2023

ACS EST Eng.

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With the urgent demand for environmental protection and sustainable development, the field of environmental catalysis has received increasing attention. The further development of environmental catalysis is limited by the understanding of reaction processes at the atomic and molecular levels. It has become a research tendency to apply theoretical calculations to assist research in the field of air pollution control. Density functional theory (DFT) calculations have been utilized to research the surface structural characteristics of catalysts, explore the mechanisms of catalytic reactions, and design suitable catalysts for environmental catalysis applications. This Review provides an overview of the basic approach of DFT calculations. Specific applications of DFT in environmental catalysis, focusing on oxide catalysts, are extensively explored, including CO oxidation, volatile organic compound (VOC) oxidation, NO x reduction, soot oxidation, and other reactions. Finally, we point out the challenges associated with DFT and potential future prospects in the battle to control air pollution. This Review paves the way for the further design of efficient and stable catalytic materials.

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Mechanistic stages of the SCR reaction – Insights into the trade-off between NO reduction and NH3 oxidation over CuSSZ-13 catalysts via isotopic 15NH3 and 18O2 TPSR and steady state studies supported by IR 2D COS and DFT modeling

Cited by 13 publications

References 67 publications

Zeolite Composite Materials from Fly Ash: An Assessment of Physicochemical and Adsorption Properties

Zeolite Composite Materials from Fly Ash: An Assessment of Physicochemical and Adsorption Properties

Study on Effect and Mechanism of Alkaline Earth Metal Poisoning on Cu/SSZ-13 Catalysts for Selective Catalytic Reduction of NO_x with NH₃

Recent Progress on Density Functional Theory Calculations for Catalytic Control of Air Pollution

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Mechanistic stages of the SCR reaction – Insights into the trade-off between NO reduction and NH3 oxidation over CuSSZ-13 catalysts via isotopic 15NH3 and 18O2 TPSR and steady state studies supported by IR 2D COS and DFT modeling

Cited by 13 publications

References 67 publications

Zeolite Composite Materials from Fly Ash: An Assessment of Physicochemical and Adsorption Properties

Zeolite Composite Materials from Fly Ash: An Assessment of Physicochemical and Adsorption Properties

Study on Effect and Mechanism of Alkaline Earth Metal Poisoning on Cu/SSZ-13 Catalysts for Selective Catalytic Reduction of NOx with NH3

Recent Progress on Density Functional Theory Calculations for Catalytic Control of Air Pollution

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Study on Effect and Mechanism of Alkaline Earth Metal Poisoning on Cu/SSZ-13 Catalysts for Selective Catalytic Reduction of NO_x with NH₃