Numerical simulation of laminar stoichiometric hydrogen–air flame structure

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Resumo

Numerical simulations of flame structure and laminar burning velocity are performed for a stoichiometric hydrogen–air mixture under standard initial conditions. A comparative analysis is presented of the results obtained using three detailed kinetic mechanisms (DKMs), which differ both in the set of elementary reaction steps and reacting species and in the values of rate constants. It is found that the decrease in H2 concentration has a weakly pronounced two-stage character. In the presence of an additional initiation channel H2+O2=OH+OH, a pronounced second maximum of the intermediate H2O2 concentration appears. In the absence of this channel, a two-stage increase in OH concentration is observed. Based on an analysis of the sensitivity of heat release to reaction rate constants, the complex behavior of the OH and H2O2 profiles is explained. Despite the differences revealed, all three DKMs predict similar values of burning velocity and heat release rate.

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Sobre autores

A. Tereza

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

Autor responsável pela correspondência
Email: tereza@chph.ras.ru
Rússia, Moscow

G. Agafonov

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

Email: tereza@chph.ras.ru
Rússia, Moscow

E. Anderzhanov

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

Email: tereza@chph.ras.ru
Rússia, Moscow

A. Betev

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

Email: tereza@chph.ras.ru
Rússia, Moscow

S. Khomik

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

Email: tereza@chph.ras.ru
Rússia, Moscow

T. Cherepanova

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

Email: tereza@chph.ras.ru
Rússia, Moscow

A. Cherepanov

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

Email: tereza@chph.ras.ru
Rússia, Moscow

S. Medvedev

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

Email: tereza@chph.ras.ru
Rússia, Moscow

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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 [19] for H2 in air (ϕ = 1) under standard initial conditions. H concentrations are multiplied by 5, O and OH by 10, HO2 by 500, and H2O2 by 5000.

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3. Fig. 2. The same as in Fig. 1, using the DCM from [14]. H concentrations are multiplied by 5, O and OH by 10, HO2 by 500, and H2O2 by 2000.

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4. Fig. 3. The same as in Fig. 2, using the DCM from [17]. The multiplying factors are the same.

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5. Fig. 4. Gradient [H2], calculated using the DCM from works [14, 17, 19].

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