Blue‐green Chemiluminescence in the System C2H2/O/H. Formation of the Emitters CH(A2Δ), C2(d3Πg) and C2H*

Grebe, J.; Homann, K. H.

doi:10.1002/bbpc.19820860703

Cited by 72 publications

(48 citation statements)

References 47 publications

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“…C 2 H radicals could be found in vibrationally excited states 37 increasing ca. -12 kcal for reactions (r68) and (r69).…”

Section: Mechanism For Ch* (A 2 ∆) Radical Formationmentioning

confidence: 98%

“…by many researchers. 9,33,[37][38][39][40] For OH* chemiluminescence, only one formation reaction (CH + O 2 => OH* + CO) has been considered and tested by simulations. 28,30,37,[39][40][41] In this way, some of the reactions used in our model do not have established kinetic parameters and it was necessary to estimate them.…”

Section: Reaction Mechanismmentioning

confidence: 99%

“…Most of these studies, the reaction between C 2 H and O was found to be the main source of CH* radical. 33,37 To reproduce the experimental chemiluminescent profile of CH* radical, the reactions proposed initially by Hand and Kistiakowsky 56 (r68 and r69) and reaction (r70), suggested by Gaydon, 36 were tested. …”

Section: Mechanism For Ch* (A 2 ∆) Radical Formationmentioning

confidence: 99%

“…Kinetic parameters for reactions (r68) and (r70) were taken from Eraslan and Brown 9 and the kinetic parameters for the latter reaction are the same as those adopted by Grebe and Homann. 37 For reaction (r69), the kinetic parameters were from Devriendt and Peeters. 33 The CH* (A 2 Δ) radical lifetime is (0.56±0.06) μs 34 and its nonradiative rate was taken from Tamura et al 29 ROPA analysis indicates that only reaction (r68) is important in this reaction mechanism for CH* production, in order to fit the simulated chemiluminescence of this radical to its experimental chemiluminescence.…”

Section: Mechanism For Ch* (A 2 ∆) Radical Formationmentioning

confidence: 99%

“…There is strong evidence in the literature 37,59,60 that the reaction between two CH radicals (r75) does not contribute significantly to C 2 * production. Grebe and Homann 37 also discard reaction (r74) and proposed reaction (r73) for C 2 * formation.…”

Section: Mechanism For C 2 (A 3 π G ) Radical Formationmentioning

confidence: 99%

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Kinetic modeling for chemiluminescent radicals in acetylene combustion

Marques¹,

Benvenutti²,

Bertran³

2006

J. Braz. Chem. Soc.

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Uma modelagem cinética foi avaliada para reproduzir a quimiluminescência experimental dos radicais excitados OH*, CHO*, CH* e C 2 * formados na combustão de C 2 H 2 /O 2 em uma câmara fechada. Um mecanismo reacional com 37 espécies e 106 reações elementares foi validado para a combustão de C 2 H 2 /O 2 com Φ=1.00 e Φ=1.62, através das medidas de quimiluminescência. Para isso foram incluídas reações de formação e de decaimento dos radicais excitados. As simulações foram realizadas com o pacote KINAL; o programa DIFF foi utilizado para resolver as equações diferenciais ordinárias e o programa ROPA para realizar a análise das velocidades de produção. Houve uma boa concordância entre os perfis de quimiluminescência experimental e simulado de todos os radicais e para ambas reações. Os resultados mostraram que o CH tem um papel central na formação dos radicais. As reações: H + O 2 = OH* + O; CH + O = CHO*; C 2 H + O 2 = CH* + CO 2 e CH 2 + C = C 2 * + H 2 são as principais rotas reacionais para reproduzir os perfis experimentais.Kinetic modeling to reproduce the experimental chemiluminescence of OH*, CHO*, CH* and C 2 * excited radicals formed in C 2 H 2 /O 2 combustion in a closed chamber was evaluated. A reaction mechanism with 37 species and 106 elementary reactions for C 2 H 2 /O 2 combustion at Φ=1.00 and Φ=1.62 was validated through chemiluminescence measurements, where formation and decay reactions of excited radicals are included. KINAL package was used for simulations. Ordinary differential equations were solved by the DIFF program and production rate analysis were acquired by the ROPA program. There was good agreement between experimental and simulated chemiluminescence profiles of all radicals for both combustions. The results showed CH has a meaningful role in the production of excited radicals. Reactions: H + O 2 = OH* + O; CH + O = CHO*; C 2 H + O 2 = CH* + CO 2 and CH 2 + C = C 2 * + H 2 were the main reactions paths used to reproduce the experimental profiles.

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“…C 2 H radicals could be found in vibrationally excited states 37 increasing ca. -12 kcal for reactions (r68) and (r69).…”

Section: Mechanism For Ch* (A 2 ∆) Radical Formationmentioning

confidence: 98%

Section: Reaction Mechanismmentioning

confidence: 99%

Section: Mechanism For Ch* (A 2 ∆) Radical Formationmentioning

confidence: 99%

Section: Mechanism For Ch* (A 2 ∆) Radical Formationmentioning

confidence: 99%

Section: Mechanism For C 2 (A 3 π G ) Radical Formationmentioning

confidence: 99%

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Kinetic modeling for chemiluminescent radicals in acetylene combustion

Marques¹,

Benvenutti²,

Bertran³

2006

J. Braz. Chem. Soc.

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Kinetics of the Species OH(A²Σ⁺), OH(X²Π and CH(X²Π) in the System C₂H₂/O/H

Grebe

Homann

1982

Ber Bunsenges Phys Chem

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OH*(A 2Σ+) and OH(X2Π) concentration‐time‐profiles were measured in the gas phase reaction system C2H2/O/H at 2.66 mbar and 298 K in a discharge flow system for largely varying initial conditions. The well established chemiluminescence reaction CH + O2 → OH*(A2Σ+) + CO connects the experimental OH*(A2Σ+) concentrations to the concentrations of the intermediate CH(X 2Π) which is an important precursor of higher hydrocarbons. Computer analysis showed that the reaction CH2 + H → CH + H2 is the major CH formation reaction with a rate constant k4 of about 5 · 1013 cm3 mol−1 s−1. Reaction CH2 + O → CH + OH does not contribute significantly to either CH or OH formation. A rate constant k28 = 4.8 · 1010 cm3 mol−1 s−1 was obtained.

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Blue‐green Chemiluminescence in the System C₂H₂/O/H. Formation of the Emitters CH(A²Δ), C₂(d³Π_g) and C₂H*

Grebe

Homann

1982

Ber Bunsenges Phys Chem

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A kinetic study of the chemiluminescence of the emitters CH(A2Δ), C2(d3Πg) and C2H* in a mixture of acetylene, oxygen and hydrogen atoms has been performed using a low pressure discharge flow reactor at 2.66 mbar and 298 K under largely varying initial conditions. The absolute concentrations of the emitters could be quantitatively simulated and correlated to the simultaneous formation of higher hydrocarbons in this system when the following formation reactions of the excited species are assumed These reactions are in particular accord with the dependence of the chemiluminescence on the concentration of free hydrogen atoms.

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Blue‐green Chemiluminescence in the System C₂H₂/O/H. Formation of the Emitters CH(A²Δ), C₂(d³Π_g) and C₂H*

Cited by 72 publications

References 47 publications

Kinetic modeling for chemiluminescent radicals in acetylene combustion

Kinetic modeling for chemiluminescent radicals in acetylene combustion

Kinetics of the Species OH(A²Σ⁺), OH(X²Π and CH(X²Π) in the System C₂H₂/O/H

Blue‐green Chemiluminescence in the System C₂H₂/O/H. Formation of the Emitters CH(A²Δ), C₂(d³Π_g) and C₂H*

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Blue‐green Chemiluminescence in the System C2H2/O/H. Formation of the Emitters CH(A2Δ), C2(d3Πg) and C2H*

Cited by 72 publications

References 47 publications

Kinetic modeling for chemiluminescent radicals in acetylene combustion

Kinetic modeling for chemiluminescent radicals in acetylene combustion

Kinetics of the Species OH(A2Σ+), OH(X2Π and CH(X2Π) in the System C2H2/O/H