Features of the inhibition of hydrogen–air mixtures by propylene additive

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Abstract

Small additions of hydrocarbons, such as propylene, which are widely studied as combustion and explosion inhibitors of hydrogen–air mixtures, are very specific objects. The known mechanism of the inhibitory effect of these additives is associated with the intensification of the termination of branching chains due to the addition of hydrogen atoms; but also such conditions exist in which these compounds, instead of inhibiting, have a neutral and even promoting effect. Such conditions, as well as the reasons leading to the fact that inhibition is practically absent, have not yet been studied. This article shows the results of numerical modeling, which make it possible to more fully outline the range of conditions where the addition of propylene practically does not inhibit hydrogen-air mixtures and outline possible reasons for this effect. Calculations were carried out with the detailed kinetic mechanism of chemical reactions NUIGMech 1.1 (2020). The objects of the study were three air mixtures containing hydrogen in amounts of 15, 29.6 and 50 vol. % (lean, stoichiometric and rich mixture, respectively) without additives and with 1% addition of propylene.

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About the authors

A. A. Belyaev

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

Author for correspondence.
Email: belyaevIHF@yandex.ru
Russian Federation, Moscow

B. S. Ermolaev

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

Email: belyaevIHF@yandex.ru
Russian Federation, Moscow

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Supplementary files

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2. Fig. 1. Temperature dependence of ignition delay (τ) of stoichiometric H2–air mixture without propylene additive. Solid line – calculation. Experimental data: squares – data from different authors, given in [17], circles – data from [18].

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3. Fig. 2. Temperature dependence of ignition delay of H2–air mixtures without additive (solid lines) and with 1% propylene additive (dashed lines). Hydrogen content in the mixture (in vol.%): 15% (1), 29.6% (2), 50% (3).

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4. Fig. 3. Kinetic analysis diagram of the formation/loss of atomic hydrogen with absolute reaction rates (in mol/(cm3 ⋅ s)). Ignition of a hydrogen-air mixture with a hydrogen content of 15% with the addition of 1% propylene at atmospheric pressure and T0 = 1000 K. The rectangle to the right of the zero line indicates the formation of H, and to the left, its loss. The time is 36.5 ms; the temperature corresponding to this time is 1099 K.

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5. Fig. 4. Time dependences of temperature and concentration of hydrogen atoms (in mole fractions) during autoignition of a stoichiometric hydrogen-air mixture without the addition of an inhibitor (a) and with the addition of 1% propylene (b) at an initial temperature of 1000 K.

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6. Fig. 5. The same as in Fig. 4, at an initial temperature of 850 K.

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7. Fig. 6. Spatial temperature distributions in the front of the normal combustion wave in air mixtures with 15% (a) and 50% (b) hydrogen without the addition of propylene (1) and with the addition of 1% propylene (2); T0 = 300 K, p = 1 atm.

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8. Fig. 7. The relationship between the logarithm of the rate of heat release (Φ) and the temperature along the reaction zone of the normal combustion wave of air mixtures with 15% (a) and 50% (b) hydrogen without additive (1) and with the addition of 1% propylene (2); T0 = 300 K, p = 1 atm.

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9. Fig. 8. The relationship between the concentration (in mole fractions) of the hydrogen atom and hydroxyl (Xj) with the temperature along the reaction zone of the normal combustion wave in air mixtures with 15% (a), 29.6% (b) and 50% (c) hydrogen without additive (solid lines) and with the addition of 1% propylene (dashed lines); T0 = 300 K, p = 1 atm.

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10. Fig. 9. Temperature profiles in a stoichiometric H2–air mixture near a heated cylinder with a diameter of 10 mm and a temperature of 1000 K under critical conditions: 1 – our calculation, 2 – experiment [27]. Pressure – 1 atm, initial temperature – 296 K.

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11. Fig. 10. Dependence of the ignition delay time τig on the temperature of the heated wire for an H2–air mixture at [H2]0 = 50% without additive (1) and with the addition of 1% propylene (2).

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