Erratum: Evaluated Kinetic Data for Combustion Modeling. Supplement I [J. Phys. Chem. Ref. Data <b>23</b>, 847 (1994)]

Baulch, D. L.; Cobos, Carlos; Cox, R. A.; Frank, Peter; Hayman, Garry; Just, Th.; Kerr, J. A.; Murrells, Timothy P.; Pilling, Michael J.; Troe, J.; Walker, Raymond W.; Warnatz, Jürgen

doi:10.1063/1.555975

Cited by 177 publications

(278 citation statements)

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“…The oxidation of C 1 -and C 2 -hydrocarbons is now well known from isolated measurements of the relevant elementary reactions and their rate coefficients [16][17][18][19]. The flame calculations presented here show methane to be attacked exclusively by H, O, and OH (see Fig.…”

Section: Slow Oxidation Of Small Hydrocarbon Fragmentsmentioning

confidence: 97%

Hydrocarbon oxidation high-temperature chemistry

Warnatz

2000

Pure and Applied Chemistry

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Abstract:The exact knowledge of hydrocarbon oxidation kinetics is very important due to the fact that this process is involved in many technological processes: combustion in engines and furnaces, flame synthesis of materials, partial oxidation processes in chemical technology, catalytic combustion, and exhaust gas treatment, etc. An overview is given on the present state of the art with respect to kinetic data on gas-phase and (shortly) surface oxidation of hydrocarbons. Furthermore, some applications are described in the areas mentioned above. Examples for the importance of the gas-phase oxidation of hydrocarbons are ignition and combustion in engines and furnaces and partial oxidation processes in industrial chemical reactors. In many applications, both gas-phase and surface chemistry are taking place. Examples here are flame generation of diamonds and syngas generation.

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Section: Slow Oxidation Of Small Hydrocarbon Fragmentsmentioning

confidence: 97%

Hydrocarbon oxidation high-temperature chemistry

Warnatz

2000

Pure and Applied Chemistry

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“…The 1-butene product (C 4 H 8 ) is believed to result solely from the combination channel (R19a) of the fast cross-radical reaction [36,40].…”

Section: Qualitative Ch 3 ؉ C 2 H 3 Product Observations At T ‫؍‬ 298mentioning

confidence: 99%

Rate constant and RRKM product study for the reaction between CH3 and C2H3 at T = 298 K

Thorn

Payne

Chillier

et al. 2000

Int. J. Chem. Kinet.

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The total rate constant k 1 has been determined at P ϭ 1 Torr nominal pressure (He) and at T ϭ 298 K for the vinyl-methyl cross-radical reaction: (1) CH 3 ϩ C 2 H 3 : Products. The measurements were performed in a discharge flow system coupled with collision-free sampling to a mass spectrometer operated at low electron energies. Vinyl and methyl radicals were generated by the reactions of F with C 2 H 4 and CH 4 , respectively. The kinetic studies were performed by monitoring the decay of C 2 H 3 with methyl in excess, 6 Ͻ [CH 3 ] 0 / [C 2 H 3 ] 0 Ͻ 21. The overall rate coefficient was determined to be k 1 (298 K) ϭ (1.02 Ϯ 0.53) ϫ 10 Ϫ10 cm 3 molecule Ϫ1 s Ϫ1 with the quoted uncertainty representing total errors. Numerical modeling was required to correct for secondary vinyl consumption by reactions such as C 2 H 3 ϩ H and C 2 H 3 ϩ C 2 H 3 . The present result for k 1 at T ϭ 298 K is compared to two previous studies at high pressure (100-300 Torr He) and to a very recent study at low pressure (0.9-3.7 Torr He).Comparison is also made with the rate constant for the similar reaction CH 3 ϩ C 2 H 5 and with a value for k 1 estimated by the geometric mean rule employing values for k(CH 3 ϩ CH 3 ) and k(C 2 H 3 ϩ C 2 H 3 ). Qualitative product studies at T ϭ 298 K and 200 K indicated formation of C 3 H 6 , C 2 H 2 , and C 3 H 5 as products of the combination-stabilization, disproportionation, and combination-decomposition channels, respectively, of the CH 3 ϩ C 2 H 3 reaction. We also observed the secondary C 4 H 8 product of the subsequent reaction of C 3 H 5 with excess CH 3 ; this observation provides convincing evidence for the combination-decomposition channel yielding C 3 H 5 ϩ H. RRKM calculations with helium as the deactivator support the present and very recent experimental observations that allylic C-H bond rupture is an important path in the combination reaction. The pressure and temperature dependencies of the branching fractions are also predicted. . Reaction rate constants and product channel information are required for all such models that attempt to account quantitatively for the observed atmospheric composition and structure. Hydrocarbon photochemistry is initiated by the photodissociation of methane in the upper

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“…The chosen value for k 1 has been obtained on the base of the compilation of Baulch et al and was adapted to the specific temperature and argon concentration [95,96]. The translational, rotational and vibrational temperatures of the methyl radical have been measured.…”

Section: Absolute Methyl Radical Concentrations Decay Methodsmentioning

confidence: 99%

On the Reaction Kinetics of Chemically Active Molecular Microwave Plasmas

Stancu

Pipa

Lombardi

et al. 2005

Contrib. Plasma Phys.

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Key words Microwave plasmas, reaction kinetics, degree of dissociation, hydrogen, methyl radical, quantum cascade laser, boron monoxide. PACS 52. 20, 52.25, 52.75, 52.80 Recent studies of phenomena in molecular non-equilibrium microwave plasmas, which have been performed within the framework of the DFG-Sonderforschungsbereich 198, project A12, are presented in this review article. Special attention is devoted to the properties and kinetics of transient molecular species. The experimental methods used were optical emission and absorption spectroscopy. The main objectives of this contribution were threefold: (i) the determination of the degree of dissociation of hydrogen in plasmas, (ii) the quantitative detection of the methyl radical, and (iii) plasma process monitoring using quantum cascade lasers.

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Erratum: Evaluated Kinetic Data for Combustion Modeling. Supplement I [J. Phys. Chem. Ref. Data 23, 847 (1994)]

Cited by 177 publications

References 0 publications

Hydrocarbon oxidation high-temperature chemistry

Hydrocarbon oxidation high-temperature chemistry

Rate constant and RRKM product study for the reaction between CH3 and C2H3 at T = 298 K

On the Reaction Kinetics of Chemically Active Molecular Microwave Plasmas

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