2024
DOI: 10.1002/jccs.202400188
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Research of the anharmonic effect on the main reactions related to NH3, NH2, and NH

Yufeng Chen,
Linyi Chen,
Zening Song
et al.

Abstract: NH3 is a highly promising zero‐carbon fuel. In this paper, 19 important reactions involving NH3, NH2, and NH in the ammonia system are studied to better establish the combustion reaction mechanism of ammonia. These reactions encompass the reactions of NH3, NH2, and NH with free radicals and inorganic compounds such as O, H, OH, NO, H2O, and O2. Utilizing the transition state theory and Yao‐Lin method, energy barrier diagrams for these reactions are presented, and the harmonic and anharmonic rate constants are … Show more

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