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Yet another kinetic mechanism for hydrogen combustion

Konnov, Alexander A. LU (2019) In Combustion and Flame 203. p.14-22
Abstract

Recent suggestion by Burke and Klippenstein (2017) that chemically termolecular reactions H + O2 + R may significantly affect kinetic pathways under common combustion situations requires careful analysis, since, if included in contemporary kinetic mechanisms, these reactions affect global reactivity and calculated burning velocities of laminar premixed flames. In the view of their impact, a detailed kinetic scheme for hydrogen combustion was revisited to elucidate how to counterbalance enhanced chain termination caused by chemically termolecular reactions in attempt to keep or improve model performance. First, recent experimental and theoretical kinetic studies of hydrogen reactions were analyzed. In the new mechanism four... (More)

Recent suggestion by Burke and Klippenstein (2017) that chemically termolecular reactions H + O2 + R may significantly affect kinetic pathways under common combustion situations requires careful analysis, since, if included in contemporary kinetic mechanisms, these reactions affect global reactivity and calculated burning velocities of laminar premixed flames. In the view of their impact, a detailed kinetic scheme for hydrogen combustion was revisited to elucidate how to counterbalance enhanced chain termination caused by chemically termolecular reactions in attempt to keep or improve model performance. First, recent experimental and theoretical kinetic studies of hydrogen reactions were analyzed. In the new mechanism four reactions were introduced and three rate constants were updated. These changes, however, significantly reduce calculated burning velocities of H2 + air flames as compared to experimental data and earlier model predictions with the major impact from chemically termolecular reactions. It was then found that implementation of the new theoretical transport database developed by Jasper et al. (2014) significantly improves the performance of the updated kinetic model. The new kinetic mechanism for hydrogen combustion which includes updated kinetics and new transport properties was found in good agreement with the consistent dataset of the burning velocity measurements for hydrogen flames obtained using the heat flux method at atmospheric pressure for which the behavior of the previous model of the author was not satisfactory.

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author
organization
publishing date
type
Contribution to journal
publication status
published
subject
keywords
Burning velocity, Hydrogen, Kinetic mechanism, Transport properties
in
Combustion and Flame
volume
203
pages
9 pages
publisher
Elsevier
external identifiers
  • scopus:85061077875
ISSN
0010-2180
DOI
10.1016/j.combustflame.2019.01.032
language
English
LU publication?
yes
id
b84c361e-4d72-49cf-960f-c4cf2a76ffa6
date added to LUP
2019-02-11 10:46:14
date last changed
2019-02-11 10:46:14
@article{b84c361e-4d72-49cf-960f-c4cf2a76ffa6,
  abstract     = {<p>Recent suggestion by Burke and Klippenstein (2017) that chemically termolecular reactions H + O<sub>2</sub> + R may significantly affect kinetic pathways under common combustion situations requires careful analysis, since, if included in contemporary kinetic mechanisms, these reactions affect global reactivity and calculated burning velocities of laminar premixed flames. In the view of their impact, a detailed kinetic scheme for hydrogen combustion was revisited to elucidate how to counterbalance enhanced chain termination caused by chemically termolecular reactions in attempt to keep or improve model performance. First, recent experimental and theoretical kinetic studies of hydrogen reactions were analyzed. In the new mechanism four reactions were introduced and three rate constants were updated. These changes, however, significantly reduce calculated burning velocities of H<sub>2</sub> + air flames as compared to experimental data and earlier model predictions with the major impact from chemically termolecular reactions. It was then found that implementation of the new theoretical transport database developed by Jasper et al. (2014) significantly improves the performance of the updated kinetic model. The new kinetic mechanism for hydrogen combustion which includes updated kinetics and new transport properties was found in good agreement with the consistent dataset of the burning velocity measurements for hydrogen flames obtained using the heat flux method at atmospheric pressure for which the behavior of the previous model of the author was not satisfactory.</p>},
  author       = {Konnov, Alexander A.},
  issn         = {0010-2180},
  keyword      = {Burning velocity,Hydrogen,Kinetic mechanism,Transport properties},
  language     = {eng},
  pages        = {14--22},
  publisher    = {Elsevier},
  series       = {Combustion and Flame},
  title        = {Yet another kinetic mechanism for hydrogen combustion},
  url          = {http://dx.doi.org/10.1016/j.combustflame.2019.01.032},
  volume       = {203},
  year         = {2019},
}