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The Formation of OH*(2Σ+) Radical in the Reaction of Hydrogen with Oxygen behind a Shock Wave in Nonequilibrium Conditions

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The mechanism of formation of the electronically excited radical OH*(A2Σ+) has been studied by analyzing calculations quantitatively describing the results of shock wave experiments carried out in order to determine… Click to show full abstract

The mechanism of formation of the electronically excited radical OH*(A2Σ+) has been studied by analyzing calculations quantitatively describing the results of shock wave experiments carried out in order to determine the moment of maximum OH* radiation at temperatures T < 1500 K and pressures P ≤ 2 atm in the H2 + O2 mixtures diluted by argon when the vibrational nonequilibrium is a factor determining the mechanism and rate of the overall process. In kinetic calculations, the vibrational nonequilibrium of the initial H2 and O2 components, the HO2, OH(X2Π), O2*(1Δ) intermediates, and the reaction product H2O were taken into account. The analysis showed that under these conditions the main contribution to the overall process of OH* formation is caused by the reactions OH + Ar → OH* + Ar, H2 + HO2 → OH* + H2O, H2 + O*(1D) → OH* + H, HO2 + O → OH* + O2 and H + H2O → OH* + H2, which occur in the vibrational nonequilibrium mode (their activation barrier is overcome due to the vibrational excitation of reactants), and by H + O3 → OH* + O2 and H + H2O2 → OH* + H2O, which are reverse to the reactions of chemical quenching.

Keywords: radical reaction; reaction hydrogen; hydrogen oxygen; formation radical; vibrational nonequilibrium; shock wave

Journal Title: Kinetics and Catalysis
Year Published: 2018

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