Combined IR spectroscopy and kinetic modeling of NOx storage and NO oxidation on Fe-BEA SCR catalysts

Abstract A multi-site kinetic model for NO x adsorption/desorption and NO to NO 2 oxidation on Fe-BEA was developed, based on in-situ IR spectroscopic measurements. NO and NO 2 adsorption, along with NO/O 2 co-adsorption were initially investigated on H- and Fe-BEA lab-synthesized samples, in order to elucidate the contribution of acidic and iron sites. Simultaneously an in-situ IR spectroscopic study allowed to characterize a variety of NO x adspecies, including iron nitrosyls, nitrosium anions, nitrites as well as aluminum and iron based nitrates. Based on recorded spectral features a multi-site kinetic model for NO x storage and NO oxidation was developed, accounting for interactions of nitrogen oxides with different surface sites. The model was finally validated, through simulation of various experimental conditions, depicting satisfactorily mechanistic aspects related to NO x storage and NO oxidation on acidic and metallic sites.

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