2022
DOI: 10.1016/j.combustflame.2021.111944
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A comprehensive experimental and modeling study of n-propylcyclohexane oxidation

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Cited by 11 publications
(21 citation statements)
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“…We developed the comprehensive combustion chemistry model of nPCH oxidation recently and found that the hydrogen atom abstraction reactions by H : O 2 radical influenced the intermediate-temperature ignition delay time of nPCH significantly. 35 Fig. 11 shows the effect of the calculated results on nPCH ignition delay times and the predictions of the updated model on RCM IDTs are almost identical to those in the previous model.…”
Section: Performances Of the Updated Modelsupporting
confidence: 56%
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“…We developed the comprehensive combustion chemistry model of nPCH oxidation recently and found that the hydrogen atom abstraction reactions by H : O 2 radical influenced the intermediate-temperature ignition delay time of nPCH significantly. 35 Fig. 11 shows the effect of the calculated results on nPCH ignition delay times and the predictions of the updated model on RCM IDTs are almost identical to those in the previous model.…”
Section: Performances Of the Updated Modelsupporting
confidence: 56%
“…The results show that electronic energy barriers of the ax-abstraction are very similar to those of the eq-abstraction with the differences between them approximately 0.2-0.7 kcal mol À1 at the four high-level computational methods. Moreover, our previous work 35 shows that the first and second oxygen addition reactions and their subsequent H-shift reactions preferably take place in the axial position. Hence only the axial H-atom abstraction is considered in this work.…”
Section: Pccp Papermentioning
confidence: 92%
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