Development of the Basis Naphthene Oxidation Kinetic Model for Simulation of the Practical Fuel Combustion

M. Abbasi , N.A. Slavinskaya

DOI Number XXXX-YYY-ZZZ

Conference Number HiSST 2018_47001212

A reaction mechanism of cyclohexane (cyC6H12) and n-propylcyclohexane (cyC9H18) is developed to study its oxidation at both low and high temperatures, including PAH precursors routes. The cyclohexane oxidation kinetic mechanism is a significant update of the model developed earlier in DLR. The new model is based on the most recent C0-C3 chemistry studied by and includes the PAH sub-model up to 5-ringed molecules. Improvements have been done through the rivaling the main reaction classes, uncertainty boundaries of the rate coefficients and an inclusion of two additive low-temperature reaction pathways: cyclohexenyl peroxy formation and isomerization of hydroperoxy peroxy radical. The mechanism was successfully validated on the ignition delay data from rapid compression machines (RCM) and shock tube experiments, as well as laminar flame speed data. This reaction model was then further extended to the n-propylcyclohexane oxidation model. The comparison low-temperature oxidation of both fuels has been performed. It is shown, that unlike cyC6H12 the ignition of npropylcyclohexane demonstrates negative temperature coefficient (NTC) behavior.

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cyclohexane, HiSST 2018, n-propylcyclohexane, reaction model, surrogate

In Categories: Fluid Dynamics, HiSST 2018, Hypersonic Aerodynamics, Propulsion Systems and Components, Testing and Evaluation, Turbulence Modeling and Simulation

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