Kinetic analysis of the effect of propylene additive on ignition and combustion of hydrogen-air mixtures

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The results of kinetic analysis are presented taking into account the rates of chemical reactions and heat release when solving problems of spontaneous ignition and laminar combustion of hydrogen-air reactions with a 1% addition of propylene. The solution was obtained using computer modeling. It has been shown that the addition of propylene to hydrogen-air mixtures significantly slows down the course of chemical reactions due to the recombination of atomic hydrogen during spontaneous combustion in the entire range of initial temperatures from 800 to 1400 K, as well as during the propagation of laminar combustion waves in rich and stoichiometric mixtures. However, propylene is a flammable substance, and during its decomposition and oxidation, heat is released, which increases the rate of temperature increase. As a consequence, under certain conditions, in particular at an initial temperature of 800 K, with the reduced rates of chemical reactions of hydrogen oxidation, as well as in the case of lean mixtures, the addition of propylene leads not to an increase, but to a decrease in the ignition delay, and to a significant increase in the temperature and speed of propagation of the combustion wave. Additional data were obtained on the important role played in laminar flames of hydrogen-air mixtures by reactions involving the HO2 radical: the branching reaction HO2+H => OH+OH and the trimolecular reaction H+O2(+M) => HO2(+M), as well as the maximum concentration of the HO2 radical. These reactions proceed at high rates in the low temperature area due to the participation of atomic hydrogen diffusing from the high temperature area of the flame and provide a significant contribution to the release of heat. The maximum concentration of the HO2 radical is achieved at the temperature that presumably corresponds to the “leading zone” of combustion. When propylene is added, the change in the maximum concentration of the radical correlates with the change in the velocity of normal combustion.

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作者简介

A. Belyaev

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

编辑信件的主要联系方式.
Email: belyaevIHF@yandex.ru
俄罗斯联邦, Moscow

B. Ermolaev

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

Email: belyaevIHF@yandex.ru
俄罗斯联邦, Moscow

I. Gordopolova

Merzhanov Institute of Structural Macrokinetics and Materials Science, Russian Academy of Sciences

Email: belyaevIHF@yandex.ru
俄罗斯联邦, Chernogolovka, Moscow region

参考

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2. Fig. 1. Temperature versus time during autoignition in a constant volume reactor at T0 = 800 K: 1 – stoichiometric hydrogen-air mixture, 2 – the same mixture with 1% propylene additive.

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3. Fig. 2. H atom concentration in mole fractions (1) and heat release rate (2) versus temperature during autoignition, T0 = 800 K; solid lines – stoichiometric mixture without propylene additive, dashed lines – with 1% additive.

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4. Fig. 3. H atom concentration in mole fractions (1) and heat release rate (2) versus temperature during autoignition, T0 = 850 K; solid lines – stoichiometric mixture without propylene additive, dashed lines – with 1% additive.

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5. Fig. 4. Diagram for flame propagation limits and velocities of two-component fuel H2–C3H6 with air. Solid lines: 1 – stoichiometric composition, 2 and 3 – lower and upper limits of flame propagation; dashed lines A, B and C correspond to mixtures with H2 content of 15, 29.6 and 50%; umax is the region of maximum combustion velocity located between the dash-dotted lines.

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6. Fig. 5. Temperature profiles in the combustion wave of hydrogen-air mixtures at an initial temperature of 300 K and a pressure of 1 atm with a 1% propylene additive (dashed lines) and without the additive (solid lines) with a hydrogen content in the mixture of 15% (curves 1), 29.6% (2) and 50% (3). To avoid overlapping, curves 2 are shifted along the distance axis by 1 mm, and curves 3 by 2 mm, respectively.

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7. Fig. 6. Dependence of the heat release rate on the temperature along the reaction zone of the normal combustion wave of hydrogen-air mixtures with different hydrogen contents: 15 vol.% (1), 29.6 vol.% (2) and 50 vol.% (3) with a 1% propylene additive (dashed lines) and without additive (solid lines). Initial temperature is 300 K, pressure is 1 atm.

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8. Fig. 7. Profiles of concentrations in mole fractions of the hydrogen and hydroxyl atoms depending on the temperature along the reaction zone of the normal combustion wave for hydrogen-air mixtures without additives (solid lines) and with 1% propylene additive (dashed lines) at a hydrogen content in the mixture of: 15% (a), 29.6% (b) and 50% (c); T0 = 300 K, pressure - 1 atm.

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9. Fig. 8. Profiles of concentrations in mole fractions of the hydroperoxyl radical depending on the temperature along the reaction zone of the normal combustion wave for hydrogen-air mixtures without additives (solid lines) and with 1% propylene additive (dashed lines) at a hydrogen content in the mixture of: 29.6% (1) and 50% (2); T0 = 300 K, pressure - 1 atm.

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