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 |
| _version_ | 1797583726592393216 |
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| author | Robert B. Barat |
| author_facet | Robert B. Barat |
| author_sort | Robert B. Barat |
| collection | DOAJ |
| description | 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. |
| first_indexed | 2024-03-10T23:42:00Z |
| format | Article |
| id | doaj.art-e0dc80d93c624c19a44d6471d3083076 |
| institution | Directory Open Access Journal |
| issn | 1420-3049 |
| language | English |
| last_indexed | 2024-03-10T23:42:00Z |
| publishDate | 2023-08-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Molecules |
| spelling | doaj.art-e0dc80d93c624c19a44d6471d30830762023-11-19T02:23:16ZengMDPI AGMolecules1420-30492023-08-012816600610.3390/molecules28166006Simple Rate Expression for Catalyzed Ammonia Decomposition for Fuel CellsRobert B. Barat0Otto H. York Department of Chemical and Materials Engineering, New Jersey Institute of Technology, Newark, NJ 07102, USAThis 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.https://www.mdpi.com/1420-3049/28/16/6006catalystammoniamechanismdecompositionCSTRpacked bed |
| spellingShingle | Robert B. Barat Simple Rate Expression for Catalyzed Ammonia Decomposition for Fuel Cells Molecules catalyst ammonia mechanism decomposition CSTR packed bed |
| title | Simple Rate Expression for Catalyzed Ammonia Decomposition for Fuel Cells |
| title_full | Simple Rate Expression for Catalyzed Ammonia Decomposition for Fuel Cells |
| title_fullStr | Simple Rate Expression for Catalyzed Ammonia Decomposition for Fuel Cells |
| title_full_unstemmed | Simple Rate Expression for Catalyzed Ammonia Decomposition for Fuel Cells |
| title_short | Simple Rate Expression for Catalyzed Ammonia Decomposition for Fuel Cells |
| title_sort | simple rate expression for catalyzed ammonia decomposition for fuel cells |
| topic | catalyst ammonia mechanism decomposition CSTR packed bed |
| url | https://www.mdpi.com/1420-3049/28/16/6006 |
| work_keys_str_mv | AT robertbbarat simplerateexpressionforcatalyzedammoniadecompositionforfuelcells |