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An Updated Comprehensive Chemical Kinetic Mechanism for Ammonia and its Blends with Hydrogen, Methanol, and N-Heptane

Research Authors
Mohamed Hamdy, Solmaz Nadiri, Ahmed Mohamed, Shijun Dong, Yuxiang Wu, Ravi Fernandes, Chongwen Zhou, Shuaishuai Liu, Kelly Senecal, Kuiwen Zhang, Henry Curran
Research Member
Research Date
Research Year
2023
Research Journal
Society of Automotive Engineering(SAE) Automotive Technical Paper
Research Publisher
Society of Automotive Engineering(SAE)
Research Vol
2023-01-0204
Research Rank
1
Research Website
https://www.sae.org/publications/technical-papers/content/2023-01-0204/
Research Abstract

Ammonia is a promising carbon-free alternative fuel for use in combustion systems. The main associated challenges are its relatively low reactivity and high NOx emissions compared to conventional fuels. Therefore, the combustion behaviour of ammonia and ammonia blends still needs to be better understood over a wide range of conditions. To this end, a comprehensive chemical kinetic mechanism C3MechV3.4, which is an update of C3MechV3.3, has been developed for improved predictions of the combustion of ammonia and ammonia blends. C3MechV3.4 has been validated using a wide range of experimental results for pure ammonia and ammonia/hydrogen, ammonia/methanol and ammonia/n-heptane blends. These validations target different data sets including ignition delay times, species profiles measured as a function of time, and/or temperature and laminar flame speeds over a wide range of conditions. The updated developed mechanism gives good predictions for pure ammonia and its blends with hydrogen, methanol and n-heptane. The most important reactions affecting predictions in different regimes for the various ammonia mixtures are discussed.

Research Rank
International Journal