Assessment of the Single-Site Kinetic Model for NH3-SCR on Cu-Chabazite for the Prediction of NOx Emissions in Dynamometer Tests

Bozbağ, Selmi Erim; Şimşek, Mutlu; Demir, Onur; Şanlı, Deniz; Özener, Barkın; Hisar, Gökhan; Erkey, Can

doi:10.1007/s40825-019-00145-y

Cited by 6 publications

(1 citation statement)

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“…Over the recent years, there have been significant developments in the kinetic modeling of NH3-SCR processes for NOx abatement which are usually aimed to be used in the design, calibration and control of SCR units (Bozbag et al 2020b;Chatterjee et al 2005;Chatterjee et al 2007;Daya et al 2018;Daya et al 2020a;Dhillon et al 2019;Gao et al 2021;Olsson et al 2015;Selleri et al 2019;Supriyanto et al 2015;Usberti et al 2020). Unlike many industrial reactors, the reactors in the aftertreatment system are continually exposed to highly transient conditions in many cases due to different road conditions, speed and torque generated by the engine.…”

Section: Introductionmentioning

confidence: 99%

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

Bozbağ

2022

Turkish Journal of Engineering

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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 NO2 and NH3 storage at different conditions. Here, different kinetic schemes for NO2 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 NH3 and NO2 which showed fractional coverages of 0.04 and 0.17 for the so-called ZCuOH and Z2Cu 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 NO2 storage over the so called secondary Z2Cu sites. It was shown that models taking into account HNO3 intermediate formation along with two NO2 storage sites were better fits to the experimental data.

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