Primary reactions of the thermal decomposition of tricyclodecane.

Olivier Herbinet (1) , Baptiste Sirjean (1) , Roda Bounaceur (1) , René Fournet (1) , Frédérique Battin-Leclerc (1) , Gérard Scacchi (1) , Paul-Marie Marquaire (1)

1 DCPR - Département de Chimie Physique des Réactions

In order to better understand the thermal decomposition of polycyclanes, the pyrolysis of tricyclodecane has been studied in a jet-stirred reactor at temperatures from 848 to 933 K, for residence times between 0.5 and 6 s and at atmospheric pressure, in order to obtain a conversion between 0.01 and 25 %. The main products of the reaction are hydrogen, methane, ethylene, ethane, propene, 1,3-cyclopentadiene, cyclopentene, benzene, 1,5-hexadiene, toluene and 3-cyclopentyl-cyclopentene. A primary mechanism containing all the possible initiation steps, including those involving diradicals, as well as propagation reactions has been developed and allows experimental results to be satisfactorily modeled. The main reaction pathways of consumption of tricyclodecane and of formation of the main products have been derived from flow rate and sensitivity analyses.

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

Olivier Herbinet, Baptiste Sirjean, Roda Bounaceur, René Fournet, Frédérique Battin-Leclerc, et al.. Primary reactions of the thermal decomposition of tricyclodecane.. Journal of Physical Chemistry A, 2006, 110 (39), pp.11298-11314. ⟨10.1021/jp0623802⟩. ⟨hal-00139755⟩