Influence of the choice of kinetic mechanism on predicted structure of lean hydrogen–air flames

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Abstract

The influence of the choice of a detailed kinetic mechanism (DKM) on the structure of a laminar flame for lean hydrogen-air mixtures has been studied by means of numerical simulation using a CHEMKIN-Pro software module. It is shown that the choice of three detailed kinetic mechanisms (DKMs), differing in the rate constants of elementary reactions, the number of reaction pathways, and the presence of additional components, has virtually no effect on flame propagation velocity and flame structure. It is found that small differences in the local sensitivity of heat release to elementary reactions can provide reliable information on possible ways of influencing flame propagation.

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About the authors

A. M. Tereza

Semenov Federal Research Center for Chemical Physics, Russian Academy of Sciences

Author for correspondence.
Email: tereza@chph.ras.ru
Russian Federation, Moscow

G. L. Agafonov

Semenov Federal Research Center for Chemical Physics, Russian Academy of Sciences

Email: tereza@chph.ras.ru
Russian Federation, Moscow

E. K. Anderzhanov

Semenov Federal Research Center for Chemical Physics, Russian Academy of Sciences

Email: tereza@chph.ras.ru
Russian Federation, Moscow

A. S. Betev

Semenov Federal Research Center for Chemical Physics, Russian Academy of Sciences

Email: tereza@chph.ras.ru
Russian Federation, Moscow

S. V. Khomik

Semenov Federal Research Center for Chemical Physics, Russian Academy of Sciences

Email: tereza@chph.ras.ru
Russian Federation, Moscow

T. T. Cherepanova

Semenov Federal Research Center for Chemical Physics, Russian Academy of Sciences

Email: tereza@chph.ras.ru
Russian Federation, Moscow

A. A. Cherepanov

Semenov Federal Research Center for Chemical Physics, Russian Academy of Sciences

Email: tereza@chph.ras.ru
Russian Federation, Moscow

S. P. Medvedev

Semenov Federal Research Center for Chemical Physics, Russian Academy of Sciences

Email: tereza@chph.ras.ru
Russian Federation, Moscow

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Supplementary files

Supplementary Files
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2. Fig. 1. Concentration and temperature profiles (a) and temperature sensitivity analysis to reactions determining heat release in a laminar flame (b), calculated using the DCM from [10] for a mixture of 15% H2 in air under normal initial conditions

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3. Fig. 2. The same as in Fig. 1, but using the DCM from [21].

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4. Fig. 3. The same as in Fig. 1, but using the DCM from [22].

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