Primary Mechanism of the Thermal Decomposition of Tricyclodecane
- 12 September 2006
- journal article
- Published by American Chemical Society (ACS) in The Journal of Physical Chemistry A
- Vol. 110 (39), 11298-11314
- https://doi.org/10.1021/jp0623802
Abstract
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, corresponding to 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-cyclopentylcyclopentene. 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.This publication has 21 references indexed in Scilit:
- Progress toward a unified detailed kinetic model for the autoignition of alkanes from C4 to C10 between 600 and 1200 KCombustion and Flame, 2005
- Pyrolysis of propane for CVI of pyrocarbon: Part II. Experimental and modeling study of polyaromatic speciesJournal of Analytical and Applied Pyrolysis, 2005
- Thermal decomposition of high-energy density materials at high pressure and temperatureJournal of Analytical and Applied Pyrolysis, 2003
- Shock tube measurements of JP-10 ignitionProceedings of the Combustion Institute, 2000
- Experimental and modeling of oxidation of acetylene, propyne, allene and 1,3-butadieneInternational Journal of Chemical Kinetics, 1999
- Computer-Aided Derivation of Gas-Phase Oxidation Mechanisms: Application to the Modeling of the Oxidation of n-ButaneCombustion and Flame, 1998
- THERGAS: a computer program for the evaluation of thermochemical data of molecules and free radicals in the gas phaseJournal de Chimie Physique et de Physico-Chimie Biologique, 1995
- Experimental and modelling study of methane and ethane oxidation between 773 and 1573 KJournal de Chimie Physique et de Physico-Chimie Biologique, 1995
- Cracking of decalin and tetralin in the presence of mixtures of n-decane and steam at about 810°CJournal of Analytical and Applied Pyrolysis, 1987
- Biradical mechanism in small ring compound reactionsThe Journal of Physical Chemistry, 1968