Isotopic branching ratios and translational energy release of hydrogen and deuterium atoms in reaction of oxygen (1D) atoms with alkanes and alkyl chlorides

Matsumi, Yutaka; Tonokura, Kenichi; Inagaki, Yoshio; Kawasaki, Masashiro

doi:10.1021/j100128a012

Cited by 74 publications

(98 citation statements)

References 8 publications

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“…24,25 The total reaction rate of this reaction has been measured by several groups. Most of the values reported are around 1.5ϫ10 Ϫ10 cm 3 molecule Ϫ1 s Ϫ1 , [26][27][28][29] except the value reported by Kawasaki and co-workers 11 is, however, slightly bigger, (2.2Ϯ0.2)ϫ10 Ϫ10 cm 3 molecule Ϫ1 s Ϫ1 . The recommended value of the total reaction rate of this reaction in the literature is 1.5ϫ10 Ϫ10 cm 3 molecule Ϫ1 s Ϫ1 .…”

Section: Introductionmentioning

confidence: 82%

“…The relative intensity of each TOF spectra is proportional to the lab angular distribution. and co-workers 11 argued that H atom loss from the reactive complex (CH 3 OH)* occurs mainly via the cleavage of the O-H bond of the complex, while the cleavage of the C-H bond is a minor process. From this argument, it is reasonable to infer that the primary radical for the H formation process from the O( 1 D)ϩCH 4 reaction should be CH 3 O.…”

Section: Discussionmentioning

confidence: 99%

“…Furthermore, experimental measurement of averaged translational energies based on the doppler technique might not be sensitive to the differences between the H formation from the O-H bond cleavage and that from the C-H bond cleavage in the reaction complexes for the three reactions studied in Ref. 11.…”

Section: Discussionmentioning

confidence: 99%

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Dynamics of the O(1D)+CH4 reaction: Atomic hydrogen channel vs molecular hydrogen channel

Lin

Harich

Lee

et al. 1999

The Journal of Chemical Physics

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Section: Introductionmentioning

confidence: 82%

Section: Discussionmentioning

confidence: 99%

See 1 more Smart Citation

Dynamics of the O(1D)+CH4 reaction: Atomic hydrogen channel vs molecular hydrogen channel

Lin

Harich

Lee

et al. 1999

The Journal of Chemical Physics

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“…Previous studies [44,45] showed that the dominant reaction pathway for atomic oxygen generation is e O 2 e O O 1 D, which means that almost half of the atomic oxygen produced by plasma is O 1 D. Table 1 lists the production reactions of O 1 D [44][45][46]. O 1 D can subsequently react with O 3 [45] (Table 2), be quenched [43,45,47] (Table 3), or react with hydrocarbons [48][49][50][51][52][53][54] (Table 4). It was previously believed that O 1 D reactions with hydrocarbons are not significant, due to their fast quenching reactions with the diluent gases [24,25], so most of the available plasma chemistry mechanisms do not contain reactions between O 1 D and hydrocarbons.…”

Section: Transport Coefficients Of Electron and Rate Coefficients mentioning

confidence: 99%

Nanosecond Pulsed Plasma Activated C2H4/O2/Ar Mixtures in a Flow Reactor

Yang¹,

Gao²,

Yang³

et al. 2016

Journal of Propulsion and Power

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The present work combines numerical and experimental efforts to investigate the effect of nanosecond pulsed plasma discharges on the low-temperature oxidation of C 2 H 4 ∕O 2 ∕Ar mixtures under reduced pressure conditions. The nonequilibrium plasma discharge is modeled using a one-dimensional framework, employing separate electron and neutral gas temperatures, and using a detailed plasma and combustion chemical kinetic mechanism. Good agreement is seen between the numerical and experimental results, and both results show that plasma enables lowtemperature C 2 H 4 oxidation. Compared to zero-dimensional modeling, the one-dimensional modeling significantly improves predictions, probably because it produces a more complete physical description (including sheath formation and accurate reduced electric field). Furthermore, the one-and zero-dimensional models show very different reaction pathways, using the same chemical kinetic mechanism and thus suggest different interpretations of the experimental results. Two kinetic mechanisms (HP-Mech and USC Mech-II) are examined in this study. The modeling results from HP-Mech agree better with the experimental results than those of USC Mech-II because USC Mech-II does not include the OH C 2 H 4 CH 2 CH 2 OH reaction pathway. The model shows that 75-77% of the input pulse energy is consumed during the breakdown process in electron impact dissociation, excitation, and ionization reactions, which efficiently produce reactive radical species, fuel fragments, and excited species. The modeling results using HP-Mech reveal that reactions between O 1 D and C 2 H 4 generate 24% of OH, 19% of HCO, 60% of CH 3 , 63% of CH 2 , and 17% of CH 2 O. These in turn significantly enhance hydrocarbon oxidation, since 83% of CO comes from HCO and 53% of CO 2 comes from CH 2 under the present low-temperature environment and short time scale. Nomenclature E = electric field, V · cm −1 F EHD i = electrohydrodynamic force per unit volume, kg · cm −2 · s −1 Gt = nondimensional heat transfer parameter J e;s = wall boundary flux of electrons, cm −2 · s −1 J k = flux of kth species, cm −2 · s −1 J ϵ = flux of electron energy, eV · cm −2 · s −1 J ϵ;s = wall boundary flux of electron energy, eV · cm −2 · s −1 J ;s = wall boundary flux of positive ions, cm −2 · s −1 J −;s = wall boundary flux of negative ions, cm −2 · s −1 J ;− = net positive and negative charge fluxes, respectively, cm −2 · s −1

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“…The reactions of O( 1 D) with small alkane molecules, such as methane, ethane, propane, etc., have been investigated extensively during the last few decades. [1][2][3][4][5][6][7][8][9][10][11][12][13][14][15][16][17][18][19][20] In the reactions with small alkanes, the insertion of the O( 1 D) atom into a ͑C-H͒ bond is the most important pathway for these reactions. These studies provide a rather complete picture of the O( 1 D) reaction dynamics with normal alkanes.…”

Section: Introductionmentioning

confidence: 99%

Experimental and theoretical investigations of the O(1D) reaction with cyclopropane

Wang

Shu

Lin

et al. 2002

The Journal of Chemical Physics

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Isotopic branching ratios and translational energy release of hydrogen and deuterium atoms in reaction of oxygen (1D) atoms with alkanes and alkyl chlorides

Cited by 74 publications

References 8 publications

Dynamics of the O(1D)+CH4 reaction: Atomic hydrogen channel vs molecular hydrogen channel

Dynamics of the O(1D)+CH4 reaction: Atomic hydrogen channel vs molecular hydrogen channel

Nanosecond Pulsed Plasma Activated C2H4/O2/Ar Mixtures in a Flow Reactor

Experimental and theoretical investigations of the O(1D) reaction with cyclopropane

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