Publications Details

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

Al Rashidi, Mariam J.; Thion, Sebastien; Togbe, Casimir; Dayma, Guillaume; Mehl, Marco; Dagaut, Philippe; Pitz, William J.; Zador, Judit; Sarathy, S.M.

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.