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Algorithmic determination of the mechanism through which H2O-dilution affects autoignition dynamics and NO formation in CH4/air mixtures

Tingas, Efstathios Al.; Kyritsis, Dimitrios C.; Goussis, Dimitris A.

Authors

Dimitrios C. Kyritsis

Dimitris A. Goussis



Abstract

The Computational Singular Perturbation (CSP) algorithm is employed in order to determine how H2O-dilution influences ignition delay and chemical paths that generate NO during isochoric homogenous lean CH4/air autoignition. Regarding the ignition delay, it is shown that H2O-dilution enhances reactivity, mainly due to the increased OH production throughout the explosive stage via reaction H2O2 (+H2O) -> OH + OH(+H2O). With regard to NO generation, the relative importance of thermal and chemical effects are examined and it is concluded that both are important. The thermal effects result in a lower temperature at the end of the explosive stage, while the most notable chemical effect is the lower level of O after this stage, mainly due to the effect of H2O-dilution on the equilibrium of the reaction O + H2O OH + OH. The depletion of O, together with the thermal effect, causes a substantial decrease in final NO generation.

Citation

Tingas, E. A., Kyritsis, D. C., & Goussis, D. A. (2016). Algorithmic determination of the mechanism through which H2O-dilution affects autoignition dynamics and NO formation in CH4/air mixtures. Fuel, 183, 90-98. https://doi.org/10.1016/j.fuel.2016.06.057

Journal Article Type Article
Acceptance Date Jun 9, 2016
Online Publication Date Jun 18, 2016
Publication Date 2016-11
Deposit Date Jun 26, 2020
Journal Fuel
Print ISSN 0016-2361
Publisher Elsevier
Peer Reviewed Peer Reviewed
Volume 183
Pages 90-98
DOI https://doi.org/10.1016/j.fuel.2016.06.057
Keywords Autoignition; NO; Methane; Water dilution; CSP
Public URL http://researchrepository.napier.ac.uk/Output/2672616