energies Article Algorithmic Analysis of Chemical Dynamics of the Autoignition of NH3–H2O2/Air Mixtures Ahmed T. Khalil 1,2, Dimitris M. Manias 3, Efstathios-Al. Tingas 4, Dimitrios C. Kyritsis 1,2,* and Dimitris A. Goussis 1,2 1 Department of Mechanical Engineering, Khalifa University of Science and Technology, Abu Dhabi 127788, UAE;
[email protected] (A.T.K.);
[email protected] (D.A.G.) 2 Research and Innovation Center on CO2 and H2 (RICH), Khalifa University of Science and Technology, P.O. Box 127788, Abu Dhabi, UAE 3 Department of Mechanics, School of Applied Mathematics and Physical Sciences, National Technical University of Athens, 157 73 Athens, Greece;
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[email protected] * Correspondence:
[email protected] Received: 8 September 2019; Accepted: 7 October 2019; Published: 21 November 2019 Abstract: The dynamics of a homogeneous adiabatic autoignition of an ammonia/air mixture at constant volume was studied, using the algorithmic tools of Computational Singular Perturbation. Since ammonia combustion is characterized by both unrealistically long ignition delays and elevated NOx emissions, the time frame of action of the modes that are responsible for ignition was analyzed by calculating the developing time scales throughout the process and by studying their possible relation to NOx emissions. The reactions that support or oppose the explosive time scale were identified, along with the variables that are related the most to the dynamics that drive the system to an explosion.