Formation mechanism of polycyclic aromatic hydrocarbons and fullerenes in premixed benzene flames

Richter, Hanz; Grieco, William J.; Howard, Jack B.

doi:10.1016/s0010-2180(99)00032-2

Cited by 184 publications

(143 citation statements)

References 52 publications

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“…An important part of the reactions of toluene molecules involves the formation of the resonancestabilized benzyl radicals by unimolecular (1) and bimolecular (3) initiations and by metatheses with H-abstraction (7)(8)(9)(10)(11)(12)(13)(14)(15)(16)(17)(18)(19)(20)(21)(22)(23)(24). Because of the high stability of benzyl radicals, metatheses are considered for a wide range of radicals, especially resonance-stabilized radicals, which are present in important concentration.…”

Section: Primary Mechanismmentioning

confidence: 99%

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%

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

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“…However, the correlation coefficients for almost all of the other detected PAHs were greater than 0.643 (p < 0.01), showing that each PAH was strongly related to the other PAHs. This is probably because the measured PAHs are formed through similar precursors (Richter et al 1999, Vu et.al 2015.…”

Section: Pahs In Air Samplesmentioning

confidence: 91%

Determination of Polycyclic Aromatic Hydrocarbons in Cigarettes and Cigarette Smoke

Shimazu¹

2016

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The present study examines the concentrations of polycyclic aromatic hydrocarbons (PAHs) in cigarettes and sidestream cigarette smoke. Nine PAHs were determined in sidestream cigarette smokes for five types of cigarettes. The volume of the experimental room is approximately 66 m 3 . The air samples in the room were collected before and after smoking. The total PAH concentrations were approximately 1.0 ng/m 3 before smoking, but the median concentration and the range of PAHs were 29.1 ng/m 3 and from 7.62 to 57.6 ng/m 3 after smoking. The relationship between suspended particulate matter (SPM) and total PAHs after smoking is significant and proportional. This may indicate that the SPM formation is associated with PAH formation during smoking. Furthermore, nine PAHs were determined in the cigarettes. Median PAH contents in the five brands of cigarettes ranged from 221 to 936 ng per cigarette before smoking and from 66.9 to 266 ng per cigarette after smoking. Mean PAH emissions from cigarettes while smoking ranged from 257 to 1490 ng per cigarette. The results show that PAHs in the cigarettes, and those generated during smoking, were emitted into the air.

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“…Frenklach and Wang [30] and Richter et al [31] suggest that the initial inception of the smaller polycyclic aromatic hydrocarbons (PAHs) that eventually combine to form soot is dependent upon the availability of aromatic molecules after the initial breakdown of the fuel molecules. If aromatic molecules are present, the hydrogen-abstraction carbonaddition (HACA) mechanism can proceed directly on a simple aromatic to form the second aromatic rings.…”

Section: Particulate Matter Emission Trends With Fuel Propertiesmentioning

confidence: 99%

Ultra-Clean Fischer-Tropsch Fuels Production and Demonstration Project

Bergin¹

2003

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Formation mechanism of polycyclic aromatic hydrocarbons and fullerenes in premixed benzene flames

Cited by 184 publications

References 52 publications

Experimental and modeling study of the oxidation of toluene

Experimental and modeling study of the oxidation of toluene

Determination of Polycyclic Aromatic Hydrocarbons in Cigarettes and Cigarette Smoke

Ultra-Clean Fischer-Tropsch Fuels Production and Demonstration Project

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