IR-spectroscopy based multi-site kinetic modeling for NH3-SCR on Fe-BEA

Stavros  Skarlis, IFP Energies Nouvelles

ORAL PRESENTATION: Iron exchanged Beta zeolite catalysts constitute a very promising candidate for efficient urea-SCR of NOx . The herein study aims at the detailed kinetic modelling of mechanistic aspects of SCR chemistry over these catalysts, namely formation and interactions of NH3 and NOx adspecies on different surface sites. Therefore, a multi-site kinetic model based on NH3 adsorption and desorption over Fe-ZSM5 (DOE CLEERS workshop 2012) was adopted. This kinetic model was further extended to Fe-BEA using data of surface characterization, obtained through in-situ IR spectroscopy. A broad range of experiments was performed over H-BEA and Fe-BEA lab-made samples and results were exploited for model development, as well as calibration and validation. Simulation of experimental results obtained over the H-BEA and the Fe-BEA samples underlined model robustness as well as the adaptability of the proposed multi-site approach to different types of Fe-exchanged catalysts.

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