An Investigation of the Reaction between O(<sup>3</sup>P) and Toluene at High Temperatures

Hoffmann, Andrea Anilda; Klatt, M.; Wagner, H. Gg.

doi:10.1524/zpch.1990.168.part_1.001

Cited by 26 publications

(21 citation statements)

References 13 publications

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“…Benzyl radicals can decompose by beta-scission as proposed by Colket and Seery [35] (30,31), react with oxygen molecules (32,33), or by termination reactions with other radicals (34)(35)(36)(37)(38)(39). Two reactions with oxygen are possible, the formation of peroxybenzyl radicals (32), which is important at low temperature, and the production of ·O· atoms and alcoxybenzyl radicals (33).…”

Section: Primary Mechanismmentioning

confidence: 99%

“…In all cases, benzyl radicals react mainly by termination steps with ·O· atoms and with OH·, methyl, and HO 2 · radicals and with themselves (34)(35)(36)(37)(38)(39). In a perfectly stirred reactor, the major recombination is that with HO 2 · radicals producing benzylhydroperoxide molecules, which rapidly yield alcoxybenzyl radicals (79), which decompose to produce benzaldehyde and H· atoms (53) or formaldehyde and phenyl radicals (54).…”

Section: Reactions Deriving From the Formation Of Benzyl Radicalsmentioning

confidence: 99%

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Experimental and modeling study of the oxidation of toluene

Bounaceur

Costa

Fournet

et al. 2004

Int J of Chemical Kinetics

186

235

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This paper describes an experimental and modeling study of the oxidation of toluene. The low-temperature oxidation was studied in a continuous flow stirred tank reactor with carbon-containing products analyzed by gas chromatography under the following experimental conditions: temperature from 873 to 923 K, 1 bar, fuel equivalence ratios from 0.45 to 0.91, concentrations of toluene from 1.4 to 1.7%, and residence times ranging from 2 to 13 s corresponding to toluene conversion from 5 to 85%. The ignition delays of toluene-oxygen-argon mixtures with fuel equivalence ratios from 0.5 to 3 were measured behind reflected shock waves for temperatures from 1305 to 1795 K and at a pressure of 8.7 ± 0.7 bar. A detailed kinetic mechanism has been proposed to reproduce our experimental results, as well as some literature data obtained in other shock tubes and in a plug flow reactor. The main reaction paths have been determined by sensitivity and flux analyses. C

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Section: Primary Mechanismmentioning

confidence: 99%

Section: Reactions Deriving From the Formation Of Benzyl Radicalsmentioning

confidence: 99%

Experimental and modeling study of the oxidation of toluene

Bounaceur

Costa

Fournet

et al. 2004

Int J of Chemical Kinetics

186

235

View full text Add to dashboard Cite

show abstract

“…A narrow band-width argon-ion laser pumped cw ring-dye laser (Coherent CR 699-21) with intra cavity frequency doubling was used as light source. The optical set-up and the system are described in [8]. The temperature dependence of the absorption coefficient for the QI (4) line was calibrated via measurements of the HNO, decomposition.…”

Section: Oh-concentration Profile Measurementsmentioning

confidence: 99%

An Investigation of the Methanol Decomposition Behind Incident Shock Waves

Dombrowsky

Hoffmann

Klatt

et al. 1991

Ber Bunsenges Phys Chem

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The pyrolysis of methanol was investigated behind incident shock waves at temperatures and densities between 1400 and 2200 K and 1 · 10−6 and 5 · 10−6 mol/cm3, respectively. Narrow band‐width laser absorption for OH radicals and ARAS technique for H atoms was used to determine the decomposition channels. For the experimental conditions described above the direct OH‐formation is found to be the main channel of about 80% of the decomposition rate. The channel leading to H and CH2OH is found to be less than 5%. There remains the possibility of channels leading from methanol to 1CH2 + H2O or to CH2O + H2.

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“…I The analogous [7] 0 atom attack on the ring 15% also generates H radicals and consumes about 15% of the fuel at 1260 K. The and HO 2 attack on CI 1 H 9 as mentioned above in the context of the benzyl radical. The formation of naphthalene and the naphthyl radical follows via paths directly analogous with benzene formation from toluene.…”

Section: Imentioning

confidence: 93%

“…The generation of H radicals is partly via H/O ring substitution C 7 H 8 + 0 = OC 7 H 7 + H (2). The rate has been adopted from Hoffmann et al [7] who considered a temperature range of 1100 -1350 K at a pressure of 300 Pa. Reaction (2) is interesting as it also initiates a primary C 6 H 6 formation channel with OC 7 H 7 eventually leading to benzene via fulvene.…”

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confidence: 99%

Detailed and Simplified Chemical Kinetics of Aviation Fuels and Surrogates

Lindstedt¹,

Markaki²

2009

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SUMMARY/OVERVIEWThe removal of the high Damk6hler number assumption from modeling approaches is essential for the computational simulation of combusting flows where strong direct kinetic effects are present. Examples of relevant physical phenomena include flame extinction and relight as well as pollutant emissions. Calculation methods (e.g. LES/FMDF) aimed at including such effects are computationally demanding and simplified reaction mechanisms that represent the desired chemical features with sufficient accuracy are required. Difficulties are augmented for aviation fuels due to the wide range of fuel components and sufficiently accurate detailed surrogate mechanisms are required for the subsequent derivation of further simplifications under actual operating conditions prior to the implementation into calculation methods for turbulent flows. The present paper addresses the issue of substituted aromatics and outlines a reaction class based route to the derivation of detailed chemical kinetic mechanisms. The example given considers the toluene/l-methyl naphthalene system.

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An Investigation of the Reaction between O(³P) and Toluene at High Temperatures

Cited by 26 publications

References 13 publications

Experimental and modeling study of the oxidation of toluene

Experimental and modeling study of the oxidation of toluene

An Investigation of the Methanol Decomposition Behind Incident Shock Waves

Detailed and Simplified Chemical Kinetics of Aviation Fuels and Surrogates

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An Investigation of the Reaction between O(3P) and Toluene at High Temperatures

Cited by 26 publications

References 13 publications

Experimental and modeling study of the oxidation of toluene

Experimental and modeling study of the oxidation of toluene

An Investigation of the Methanol Decomposition Behind Incident Shock Waves

Detailed and Simplified Chemical Kinetics of Aviation Fuels and Surrogates

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Product

Resources

About

An Investigation of the Reaction between O(³P) and Toluene at High Temperatures