The storage of NH 3 over Fe-ZSM5 catalysts was investigated through a multisite approach where the reaction rate expressions are based on the mean-field approximation. A kinetic model, including five different surface sites was formulated from literature data and validated over a broad range of NH 3 adsorption and desorption experiments, showing the interest of the selected approach. For simulation purposes, the values of the NH 3 storage capacity used in our test cases were evaluated based on structural properties of zeolites with respect to Si/Al and Fe/Al ratios. Comparison between the predicted and the experimental values shows the limits of our evaluation.
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Skarlis et al. (2012) studied this question.
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