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Chapitre D'ouvrage Année : 2019

Experiments for kinetic mechanism assessment

Résumé

Chemical kinetic reaction mechanisms for combustion, either hand-written or automatically generated, rely on experimental data obtained over a large range of conditions. However, combustion is a complex, generally exothermic, phenomenon involving strongly coupled chemical processes (reaction kinetics) and physical processes (diffusion and heat transfer). Thus, in order to better assess chemical kinetic reaction mechanisms, it is preferable to design experiments where the complexity of physical processes is minimized and the accuracy of the data is maximized. This is the case for ideal reactors such as plug-flow reactors (PFRs), perfectly stirred reactors (PSRs), and shock tubes. In practice, the experiments should be performed under conditions where ideal reactor models can be used, for example, operating a jet-stirred reactor (JSR) under highly diluted conditions, under near-isothermal conditions. Indeed, such kinetic reaction mechanisms need to be validated through extensive comparison of modeling predictions and experimental results obtained under well-defined conditions. A wide range of experimental facilities can provide such data which are usually described as “global” and “detailed.” By combining data obtained from several techniques and conditions, one can check their consistency and use them to constrain chemical kinetic reaction mechanisms.
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Dates et versions

hal-02318427 , version 1 (17-10-2019)

Identifiants

Citer

Philippe Dagaut. Experiments for kinetic mechanism assessment. Tiziano Faravelli; Flavio Manenti; Eliseo Ranzi. Computer-Aided Chemical Engineering Mathematical Modelling of Gas-Phase Complex Reaction Systems: Pyrolysis and Combustion, 45, Elsevier, pp.445-471, 2019, 978-0-12-819579-6. ⟨10.1016/B978-0-444-64087-1.00008-5⟩. ⟨hal-02318427⟩
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