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Journals / Turkish Journal of Engineering / 2026 / Volume: 6 Issue: 3

Single and multisite detailed kinetic models for the adsorption and desorption of NO2 over Cu based NH3-SCR catalyst

Selmi Erim Bozbağ(KOÇ ÜNİVERSİTESİ)0000-0003-4471-2301
Pages
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Publication Date
2022-07-20
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AI Summary & Key Takeaways

AI Insight
⚡ TL;DR(Too Long; Didn't Read)

It was shown that models taking into account HNO3 intermediate formation along with two NO 2 storage sites were better fits to the experimental data.

📌 3 Key Takeaways

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Objective & Hypothesis:Kinetic modeling of NH3 Selective Catalytic Reduction (NH3-SCR) of NOx in Cu-chabazite washcoated monolithic reactors has recently become an important task for design, control and calibration of heavy-duty engine aftertreatment systems.
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Key Findings & Data:Development of detailed and accurate kinetic models rely on the correct simulation of the NO 2 and NH 3 storage at different conditions.
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Conclusion & Impact:It was shown that models taking into account HNO3 intermediate formation along with two NO 2 storage sites were better fits to the experimental data.
🔬Design:Modeling & Simulation
📍Scope:Comprehensive Sample
⚙️Variables:NO2 Storage · NH3 storage · Kinetic model

Abstract

Kinetic modeling of NH3 Selective Catalytic Reduction (NH3-SCR) of NOx in Cu-chabazite washcoated monolithic reactors has recently become an important task for design, control and calibration of heavy-duty engine aftertreatment systems. Development of detailed and accurate kinetic models rely on the correct simulation of the NO 2 and NH 3 storage at different conditions. Here, different kinetic schemes for NO 2 adsorption and desorption were developed and compared to experimental data. For this purpose, firstly, realistic values of the active Cu sites in the Cu-zeolite were obtained using the temperature programmed desorption (TPD) of NH 3 and NO 2 which showed fractional coverages of 0.04 and 0.17 for the so-called ZCuOH and Z 2 Cu species which reside in the 8 and 6 membered rings (MR) of the zeolitic framework, respectively. Active site concentrations were used in the kinetic models which included simultaneous formation of nitrate/nitrite species or the formation of HNO3 intermediate which in turn resulted in the formation of nitrates or nitrites over the ZCuOH. Models also included or excluded the NO 2 storage over the so called secondary Z 2 Cu sites. It was shown that models taking into account HNO3 intermediate formation along with two NO 2 storage sites were better fits to the experimental data.

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Cite This Article

Bozbağ, S. E. (2022). Single and multisite detailed kinetic models for the adsorption and desorption of NO2 over Cu based NH3-SCR catalyst. Turkish Journal of Engineering, Volume: 6 Issue: 3. https://doi.org/10.31127/tuje.931038

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