Simple Rate Expression for Catalyzed Ammonia Decomposition for Fuel Cells
This paper examines NH<sub>3</sub> decomposition rates based on a literature-proven six-step elementary catalytic (Ni-BaZrO<sub>3</sub>) mechanism valid for 1 × 10<sup>5</sup> Pa pressure in a 650–950 K range. The rates are generated using a hypothetical continuou...
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| Format: | Article |
| Language: | English |
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MDPI AG
2023-08-01
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| Series: | Molecules |
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| Online Access: | https://www.mdpi.com/1420-3049/28/16/6006 |
| Summary: | This paper examines NH<sub>3</sub> decomposition rates based on a literature-proven six-step elementary catalytic (Ni-BaZrO<sub>3</sub>) mechanism valid for 1 × 10<sup>5</sup> 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. |
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| ISSN: | 1420-3049 |