Theoretical Study of the Thermal Decomposition of a Jet Fuel Surrogate

Baptiste Sirjean (1) , Olivier Herbinet (1) , Pierre-Alexandre Glaude (1) , M.F. Ruiz-Lopez (2) , René Fournet (1)

1 DCPR - Département de Chimie Physique des Réactions
2 SRSMC - Structure et Réactivité des Systèmes Moléculaires Complexes

In a scramjet, the fuel can be used to cool down the engine walls. The thermal decomposition of the jet fuel changes the reacting mixture before its combustion. A numerical study of the pyrolysis of norbornane, a jet fuel surrogate, has been performed. Rate constants of some sensitive reaction channels have been calculated by means of quantum chemical calculations at the CBS-QB3 level of theory. The mechanism has been validated against experimental results obtained in a jet-stirred reactor and important and/or sensitive pathways have been derived.

Domaines: Chimie-Physique [physics.chem-ph]

Baptiste Sirjean, Olivier Herbinet, Pierre-Alexandre Glaude, M.F. Ruiz-Lopez, René Fournet. Theoretical Study of the Thermal Decomposition of a Jet Fuel Surrogate. Spring 2008 Meeting, Western States Section/The Combustion Institute, Mar 2008, Los Angeles, United States. CD Rom du congrès, 19 p., Paper #08-S11. ⟨hal-00377675⟩