Conference paper · Journal article
Insights into the ammonia synthesis from first-principles
A new set of measurements is used to further test a recently published first-principles model for the ammonia (NH3) synthesis on an unpromoted Ru-based catalyst. A direct comparison shows an overall good agreement in NH3 productivity between the model and the experiment. In addition, macro-properties, such as apparent activation energies and reaction orders, are calculated from the first-principles model.
Our analysis shows that the reaction order of N-2 is unity under all considered conditions, whereas the reaction orders of H-2 and NH3 depend on reaction conditions. (c) 2006 Elsevier B.V. All rights reserved.
Language: | English |
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Year: | 2006 |
Pages: | 4264-4268 |
Proceedings: | 23rd European Conference on Surface Science |
ISSN: | 18792758 and 00396028 |
Types: | Conference paper and Journal article |
DOI: | 10.1016/j.susc.2005.11.070 |
ORCIDs: | Nørskov, Jens Kehlet |