Formation of Polycyclic Aromatic Hydrocarbons (PAHs) and Oxygenated PAHs in the Oxidation of Ethylene Using a Flow Reactor

Suzuki, Shunsuke; Kiuchi, Shota; Kinoshita, Koichi; Takeda, Yoshinaka; Tanaka, Kotaro; Oguma, Mitsuharu

doi:10.1080/00102202.2020.1771327

Cited by 16 publications

(11 citation statements)

References 66 publications

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“…The effect of the equivalence ratio on the formation of small hydrocarbons was studied, as shown in Figures and at 1150 and 1300 K, respectively, varying the equivalence ratios from 3.0 to 12.0. Equivalence ratios larger than 3.0 were adopted in this study because PAHs were scarcely formed when the equivalence ratio was lower than 2.0 in our previous studies. , The nominal residence time was fixed to be 1.2 s. The detailed experimental conditions are presented in Table S2.…”

Section: Resultsmentioning

confidence: 99%

“…Equivalence ratios larger than 3.0 were adopted in this study because PAHs were scarcely formed when the equivalence ratio was lower than 2.0 in our previous studies. 11,12 The nominal residence time was fixed to be 1.2 s. The detailed experimental conditions are presented in Table S2.…”

Section: Effect Of Equivalencementioning

confidence: 99%

“…Polycyclic aromatic hydrocarbons (PAHs), formed in fuel combustion and emitted from not only vehicles but also industrial machines, are well known as detrimental substances to the environment and human health. − Clarifying the detailed chemistry involving the formation and consumption of PAHs has been the target for decades because PAHs are considered as precursors for soot . The PAH formation is strongly dependent on the low-molecular-weight hydrocarbons, such as methane, acetylene, vinylacetylene, and others, that are formed in the oxidation and/or pyrolysis of fuel in the combustion environment and play an important role in the formation of PAHs. − According to some studies that report on the formation of PAHs, − clarifying the formation behavior of intermediate light hydrocarbons in the fuel-rich oxidation of hydrocarbons is very helpful for promoting the understanding of the reaction mechanism of PAHs and soot. The three selected hydrocarbons, namely ethylene, toluene, and n -decane, were employed as feedstocks in this study.…”

Section: Introductionmentioning

confidence: 99%

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Measurements of Intermediate Species in Fuel-Rich Oxidation of Ethylene, Toluene, and n-Decane

et al. 2021

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Polycyclic aromatic hydrocarbons (PAHs) are important precursors to the formation of soot and are also pollutant emissions from combustion devices, including internal combustion engines. To understand the formation of PAHs, the low-molecular-weight hydrocarbon chemistry leading to their formation needs to be understood. Toward this goal, fuel-rich oxidation of three different hydrocarbons, i.e., ethylene, toluene, and n-decane, has been investigated in an atmospheric pressure flow reactor at varying temperatures (1000–1350 K), equivalence ratios (ϕ = 3.0–12.0), and residence times of 0.25–1.5 s. The major C1 to C7 intermediates, such as methane, acetylene, ethylene, allene, propyne, propylene, vinylacetylene, 1,3-butadiene, cyclopentadiene, benzene, and toluene, were quantified using a gas chromatograph equipped with a flame ionization detector. The experimental tendency of intermediate species formation, e.g., the dependence of temperature, equivalence ratio, and residence time, was similar in ethylene oxidation and n-decane oxidation. The concentrations of intermediate species up to C4 were higher in ethylene/n-decane oxidation than toluene oxidation, while a nearly equal or larger amount of C5–C7 species was produced in toluene oxidation. The experimental data were compared with modeling results using a detailed chemical kinetic mechanism. The calculated data using the kinetic model were in agreement with the experimental results. A comprehensive kinetic analysis on the reaction pathways of each species was conducted to assess the differences in the oxidation chemistry with the change in the structure of hydrocarbons. In particular, in-depth analysis of benzene formation was performed, elucidating that two benzene formation pathways were important in ethylene and n-decane oxidation: (1) H elimination of the 2,4-cyclohexadienyl radical produced from the isomerization of the 2,4-cyclopentadienylmethyl radical, and (2) dehydrogenation of cyclohexadiene produced from reactions of vinyl radical with 1,3-butadiene. In toluene oxidation, it was found that benzene was primarily produced from toluene through the replacement of the methyl group with hydrogen.

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Section: Resultsmentioning

confidence: 99%

Section: Effect Of Equivalencementioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Measurements of Intermediate Species in Fuel-Rich Oxidation of Ethylene, Toluene, and n-Decane

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“…Some criteria that ensure negligible species diffusion in both radial and axial direction and temperature uniformity in a reactor were provided in some articles [2,3]. Because our reactor satisfied those criteria well, plug flow assumption can be considered reasonable [1]. For your information, Reynolds number, Peclet number (mass transport), and Peclet number (heat transport) in experiments were approximately 40-220, 30-170, and 20-120, respectively, in this study.…”

Section: The Details Of Flow Reactor Modelingmentioning

confidence: 77%

“…Because we discussed characteristics of our flow reactor in our previous paper [1], essential points are only stated herein. Some criteria that ensure negligible species diffusion in both radial and axial direction and temperature uniformity in a reactor were provided in some articles [2,3].…”

Section: The Details Of Flow Reactor Modelingmentioning

confidence: 99%

Measurements of Intermediate Species in Fuel-Rich Oxidation of Ethylene, Toluene, and nDecane

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Seasonal variation and source apportionment of Oxygenated Polycyclic Aromatic Hydrocarbons (OPAHs) and Polycyclic Aromatic Hydrocarbons (PAHs) in PM2.5 in Seoul, Korea

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Lee

Shin

et al. 2022

Atmospheric Environment

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Formation of Polycyclic Aromatic Hydrocarbons (PAHs) and Oxygenated PAHs in the Oxidation of Ethylene Using a Flow Reactor

Cited by 16 publications

References 66 publications

Measurements of Intermediate Species in Fuel-Rich Oxidation of Ethylene, Toluene, and n-Decane

Measurements of Intermediate Species in Fuel-Rich Oxidation of Ethylene, Toluene, and n-Decane

Measurements of Intermediate Species in Fuel-Rich Oxidation of Ethylene, Toluene, and nDecane

Seasonal variation and source apportionment of Oxygenated Polycyclic Aromatic Hydrocarbons (OPAHs) and Polycyclic Aromatic Hydrocarbons (PAHs) in PM2.5 in Seoul, Korea

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