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High-Pressure-Limit Rate Coefficients for HO₂ Elimination Reactions of Hydroperoxyalkenylperoxy Radicals based on the Reaction Class Transition State Theory.

ABSTRACT: Thermokinetic parameters and transport parameters are of great importance to the combustion model and the reaction rate rules are of great importance to construct the combustion reaction mechanism for hydrocarbon fuels. The HO₂ elimination reaction class for hydroperoxyalkenylperoxy radicals is one of the key reaction classes for olefin, for which the rate coefficients are lacking. Therefore, the rate coefficients and rate rules of the HO₂ elimination reaction class for hydroperoxyalkenylperoxy radicals are studied in this work. The reaction class transition state theory (RC-TST) is used to calculate the rate coefficients. In addition, the HO₂ elimination reaction class of hydroperoxyalkenylperoxy radicals is divided into four subclasses depending upon the

SUBMITTER: Sun X

PROVIDER: S-EPMC9202253 | biostudies-literature | 2022 Jun

REPOSITORIES: biostudies-literature

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High-Pressure-Limit Rate Coefficients for HO₂ Elimination Reactions of Hydroperoxyalkenylperoxy Radicals based on the Reaction Class Transition State Theory.

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High-Pressure-Limit Rate Coefficients for HO2 Elimination Reactions of Hydroperoxyalkenylperoxy Radicals based on the Reaction Class Transition State Theory.

OmicsDI is part of the ELIXIR infrastructure

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High-Pressure-Limit Rate Coefficients for HO₂ Elimination Reactions of Hydroperoxyalkenylperoxy Radicals based on the Reaction Class Transition State Theory.