Simple Rate Expression for Catalyzed Ammonia Decomposition for Fuel Cells

Document Type

Article

Publication Date

8-1-2023

Abstract

This paper examines NH3 decomposition rates based on a literature-proven six-step elementary catalytic (Ni-BaZrO3) mechanism valid for 1 × 105 Pa pressure in a 650–950 K range. The rates are generated using a hypothetical continuous stirred tank catalytic reactor model running the literature mechanism. Excellent correlations are then obtained by fitting these rates to a simple overall kinetic expression based on an assumed slow step, with the remaining steps in fast pseudo-equilibria. The robust overall simple rate expression is then successfully demonstrated in various packed bed reactor applications. This expression facilitates engineering calculations without the need for a complex, detailed mechanism solver package. The methodology used in this work is independent of the choice of catalyst. It relies on the availability of a previously published and validated elementary reaction mechanism.

Identifier

85168747546 (Scopus)

Publication Title

Molecules

External Full Text Location

https://doi.org/10.3390/molecules28166006

e-ISSN

14203049

PubMed ID

37630257

Issue

16

Volume

28

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