Decomposition and ring expansion in methyl cyclopentadiene. single-pulse shock tube and modeling study

Assa Lifthitz, Carmen Tamburu, Aya Suslensky, Faina Dubnikova

Research output: Contribution to conferencePaperpeer-review

Abstract

The thermal reactions of methyl cyclopentadiene diluted in argon were studied behind reflected shock waves in a 2 in. ID pressurized driver single-pulse shock tube at 1070-1270 K and overall densities of ∼ 3 × 10-5 mole/cc. A plethora of products resulting from decompositions and ring expansion were found in the post shock samples. They were, in order of decreasing abundance, cyclopentadiene, benzene, methane, ethane, naphthalene, acetylene, ethylene, C4H4, toluene, C3H4 and indene. Very minute yields of some other compounds were also observed. Production of all the products involved free radical reactions. The initiation of the free radical mechanisms in the decomposition of methyl cyclopentadiene took place via ejection of hydrogen atoms from SP3 carbons and dissociation of the methyl group attached to the ring. The H atoms and the methyl radicals initiated free radical reactions by abstraction of hydrogen atoms from SP3 carbons and by dissociative recombination of H atom and removal of a methyl group from the ring. The ring expansion process that leads to the production of high yield of benzene, took place mainly from methylene cyclopentadienyl intermediate. A reaction scheme containing 40 species and 105 elementary reactions was composed and computer simulation was performed at 1050-1300 K at 25 K intervals. The agreement between the experimental results and the model prediction for most of the products was satisfactory.

Original languageEnglish
Pages90
Number of pages1
StatePublished - 2004
Event30th International Symposium on Combustion, Abstracts of Symposium Papers - Chicago, IL, United States
Duration: 25 Jul 200430 Jul 2004

Conference

Conference30th International Symposium on Combustion, Abstracts of Symposium Papers
Country/TerritoryUnited States
CityChicago, IL
Period25/07/0430/07/04

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