Elucidating reactivity regimes in cyclopentane oxidation: Jet stirred reactor experiments, computational chemistry, and kinetic modeling

Mariam J. Al Rashidi*, Sébastien Thion, Casimir Togbé, Guillaume Dayma, Marco Mehl, Philippe Dagaut, William J. Pitz, Judit Zádor, S. Mani Sarathy

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

33 Scopus citations

Abstract

A detailed kinetic model comprising low- and high-temperature reaction pathways capable of predicting the combustion characteristics of cyclopentane was studied. The simulations reproduced the unique reactivity trend of cyclopentane and the measured concentration profiles of intermediate and product species. Simulation results agreed with the experiments and both showed an increase in reactivity with increasing temperature at φ = 0.5 1.0 and 1.5. For richer conditions cyclopentane concentration profiles exhibit inhibition of reactivity between 850 and 1000 K.

Original languageEnglish (US)
Pages (from-to)469-477
Number of pages9
JournalProceedings of the Combustion Institute
Volume36
Issue number1
DOIs
StatePublished - 2017
Externally publishedYes

Keywords

  • Cyclopentane
  • Jet stirred rector
  • Modeling
  • Species profiles

ASJC Scopus subject areas

  • Chemical Engineering(all)
  • Mechanical Engineering
  • Physical and Theoretical Chemistry

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