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Communication Dans Un Congrès Année : 2023

Theoretical study of primary ozonolysis in oleic acid aerosol phase

Résumé

In the Earth atmosphere, the chemical and structural processing of each reaction steps influence the overall outcome of the products and understanding of each step requires vigorous investigation molecular level. Therefore, in this study, the formation of the primary ozonide generated by the attack of the  bond of oleic acid is studied in gas and aerosol phases using ab initio, density functional and classical modelling approaches. The presence of water is also considered. Reaction rates are obtained using variational transition state theory including tunnelling effect. For surface processes, both Eley-Rideal and Langmuir-Hinshelwood mechanisms are considered. The results are compared to available experimental obtained in both laboratory and field conditions.
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Dates et versions

hal-04466339 , version 1 (19-02-2024)

Identifiants

  • HAL Id : hal-04466339 , version 1

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Denis Duflot, Akilan Rajamani, Rawan Abouhaidar, Céline Toubin, Roose Antoine. Theoretical study of primary ozonolysis in oleic acid aerosol phase. 26ème Congrès Général de la Société Française de Physique, Jul 2023, PARIS, France. ⟨hal-04466339⟩
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