Construction et validation de modèles cinétiques détaillés pour la combustion de mélanges modèles des essences :

Abstract : The irreversible reduction of oil resources, the CO2 emission control and the application of increasingly strict standards of pollutants emission lead the worldwide researchers to work to reduce the pollutants formation and to improve the engine yields, especially by using homogenous charge combustion of lean mixtures. The numerical simulation of fuel blends oxidation is an essential tool to study the influence of fuel formulation and motor conditions on auto-ignition and on pollutants emissions. The automatic generation helps to obtain detailed kinetic models, especially at low temperature, where the number of reactions quickly exceeds thousand. The main purpose of this study is the generation and the validation of detailed kinetic models for the oxidation of gasoline blends using the EXGAS software. This work has implied an improvement of computation rules for thermodynamic and kinetic data, those were validated by numerical simulation using CHEMKIN II softwares. A large part of this work has concerned the understanding of the low temperature oxidation chemistry of the C5 and larger alkenes. Low and high temperature mechanisms were proposed and validated for 1-pentene, 1-hexene, the binary mixtures containing 1-hexene/iso-octane, 1-hexene/toluene, iso-octane/toluene and the ternary mixture of 1-hexene/toluene/ so-octane. Simulations were also done for propene, 1-butene and iso-octane with former models including the modifications proposed in this PhD work. If the generated models allowed us to simulate with a good agreement the autoignition delays of the studied molecules and blends, some uncertainties still remains for some reaction paths leading to the formation of cyclic combustion products in the case of alkenes oxidation at low temperature. It would be also interesting to carry on the work about generation and validation of combustion models for gasoline blends at low temperature
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Sylvain Touchard. Construction et validation de modèles cinétiques détaillés pour la combustion de mélanges modèles des essences :. Autre. Institut National Polytechnique de Lorraine, 2005. Français. ⟨NNT : 2005INPL069N⟩. ⟨tel-01752537⟩

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