An updated experimental and kinetic modeling study of n-heptane oxidation

Zhang, Kuiwen; Banyon, Colin; Bugler, John; Curran, Henry J.; Rodriguez, Anne; Herbinet, Olivier; Battin‐Leclerc, Frédérique; B'Chir, Christine; Heufer, Karl Alexander

doi:10.1016/j.combustflame.2016.06.028

Cited by 332 publications

(263 citation statements)

References 78 publications

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“…This facility is a newly designed ST facility and has been described in detail by Zhang et al [59]. Briefly, it has an inner diameter of 63.5 mm and driver and driven section lengths of 3 and 4.1 m, respectively.…”

Section: Pcfc Rwth Aachen Shock Tubementioning

confidence: 99%

“…In order to explore the effect of adding n-heptane on the 2-MF reactivity, ignition delays of pure 2-MF, the 2-MF/n-heptane blend, and pure n-heptane [59] are compared here. Ignition delay measurements of stoichiometric n-heptane/air mixtures [59] serve as additional targets for model validation.…”

Section: Comparison Of 2-mf 2-mf/n-heptane Blend and N-heptane Oxidmentioning

confidence: 99%

“…Ignition delay measurements of stoichiometric n-heptane/air mixtures [59] serve as additional targets for model validation. Figure 12 Among the three cases, pure 2-MF is the least reactive and pure n-heptane is the most reactive.…”

Section: Comparison Of 2-mf 2-mf/n-heptane Blend and N-heptane Oxidmentioning

confidence: 99%

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Oxidation of 2-methylfuran and 2-methylfuran/n-heptane blends: An experimental and modeling study

Tripathi

Burke

Ramalingam

et al. 2018

Combustion and Flame

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Section: Pcfc Rwth Aachen Shock Tubementioning

confidence: 99%

Section: Comparison Of 2-mf 2-mf/n-heptane Blend and N-heptane Oxidmentioning

confidence: 99%

See 1 more Smart Citation

Oxidation of 2-methylfuran and 2-methylfuran/n-heptane blends: An experimental and modeling study

Tripathi

Burke

Ramalingam

et al. 2018

Combustion and Flame

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“…An example is the 5CIPS in 1OOH_2OOj radical as shown in Figure 1. However, recent kinetic studies [17][18][19][20][21][22] showed that alternative isomerization where the peroxy group abstracts a H-atom that is not α to the OOH group (i.e., non α-H isomerization) to form di-hyrdoperoxyalkyl radical P(OOH)2, (e.g. 5AISS and 6AIPS reactions of 1OOH_2OOj in Figure 1) can be a competing pathway, especially for long chain alkanes.…”

Section: Introductionmentioning

confidence: 99%

Computational Kinetics of Hydroperoxybutylperoxy Isomerizations and Decompositions: A Study of the Effect of Hydrogen Bonding

et al. 2018

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Hydroperoxyalkylperoxy (OOQOOH) radicals are important intermediates in combustion chemistry. The conventional isomerization of OOQOOH radicals to form ketohydroperoxides has been long believed to be the most important chain branching reaction under the low temperature combustion conditions. In this work the kinetics of competing pathways (alternative isomerization, concerted elimination and H-exchange pathways) to the conventional isomerization of different β-, γ-and Δ-OOQOOH butane isomers are investigated. Six-and seven-membered ring conventional isomerizations are found to be the dominant pathways whereas alternative

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“…• The rate constant for the H-abstraction from 1-octene by CH3Ȯ radicals giving an allylic radical has been taken from the recent work of Zhang et al [36] (40 T 2.9 exp(−8609 cal/RT) s −1 )…”

mentioning

confidence: 99%

Experimental and modeling study of 1-octene jet-stirred reactor oxidation

Meng

Herbinet

Wang

et al. 2017

Fuel

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Highlights• Experimental study of the oxidation of 1-octene in a jet-stirred reactor (500-1100 K).• Detailed speciation of obtained products.• A new detailed kinetic model developed for 1-octene oxidation.• Computed kinetic analyses highlighting the specific pathways for large alkene oxidation. AbstractThe oxidation of 1-octene has been studied in a jet-stirred reactor for temperatures from 500 to 1100 K, at atmospheric pressure, with dilute mixtures of equivalence ratios of 0.25, 0.5, 1.0, and 2.0 in helium. The initial fuel mole fraction was set as 0.005. Product formation has been investigated using gas chromatography. In addition to usual C0-C4 oxidation products, the produced mole fractions of 1,4-pentadiene, cyclohexene, ethylcyclohexene, C5-C8 aldehydes, 2-octanone, octenal, hexyl-oxirane, and 2-propyl,5-hydroxytetrahydrofuran have been quantified. Following the same kinetic rules as in a model recently developed for 1-hexene, a new model has been written for 1-octene oxidation. This new model allows an acceptable prediction of most of the newly obtained experimental results, as well as of previous literature ones. The most important deviations were encountered for aldehydes, ketones and cyclic alkenes indicating missing reaction pathways for these compounds.

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An updated experimental and kinetic modeling study of n-heptane oxidation

Cited by 332 publications

References 78 publications

Oxidation of 2-methylfuran and 2-methylfuran/n-heptane blends: An experimental and modeling study

Oxidation of 2-methylfuran and 2-methylfuran/n-heptane blends: An experimental and modeling study

Computational Kinetics of Hydroperoxybutylperoxy Isomerizations and Decompositions: A Study of the Effect of Hydrogen Bonding

Experimental and modeling study of 1-octene jet-stirred reactor oxidation

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