An upper limit for the rate constant of the bimolecular reaction CH3 + → OH + H2CO at 368 K

Klais, Odo; Anderson, Philip C.; Laufer, Allan H.; Kurylo, Michael J.

doi:10.1016/0009-2614(79)80349-8

Cited by 14 publications

(4 citation statements)

References 9 publications

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“…In the first reaction scheme CO + O 2 → CO 2 + O the rate constant is 7.58 × 10 −47 cm 3 /molecule·s at 300 K . In contrast, the second scheme CH 2 ( X̃ 3 B 1 ) + O 2 → CO 2 + H 2 with exothermicity of 186 kcal/mol has a much larger rate constant of 2 × 10 −12 cm 3 /molecule·s at 298 K. , The reaction between CH 3 and O 2 does not lead to CO 2 but follows the scheme CH 3 + O 2 → CH 2 O + OH with a small rate constant of <3 × 10 −16 cm 3 /molecule·s at 298 K . As shown in Figure , a time dependence of production yield of CO 2 is derived from Figure .…”

Section: Resultsmentioning

confidence: 97%

“…There are two reaction schemes to produce CO 2 . In the first reaction scheme the rate constant is 7.58 × 10 -47 cm 3 /molecule • s at 300 K. 23 In contrast, the second scheme with exothermicity of 186 kcal/mol has a much larger rate constant of 2 × 10 -12 cm 3 /molecule • s at 298 K. 24,25 The reaction between CH 3 and O 2 does not lead to CO 2 but follows the scheme with a small rate constant of <3 × 10 -16 cm 3 /molecule • s at 298 K. 26 As shown in Figure 11, a time dependence of production yield of CO 2 is derived from Figure 10. According to mass balance, the total [CH 2 ] o produced initially in eq 5 equals…”

Section: Rotational and Vibrational Energy Deposition In Comentioning

confidence: 99%

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Photodissociation of Gaseous Acetyl Chloride at 248 nm by Time-Resolved Fourier-Transform Infrared Spectroscopy: The HCl, CO, and CH₂ Product Channels

Liu¹,

Tsai²,

Liu³

et al. 2010

J. Phys. Chem. A

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In one-photon dissociation of gaseous acetyl chloride at 248 nm, time-resolved Fourier-transform infrared emission spectroscopy is used to detect the fragments of HCl, CO, and CH(2) in the presence of Ar or O(2). The high-resolution spectra of HCl and CO are analyzed to yield the corresponding internal energy deposition of 8.9 +/- 1.1 and 6.2 +/- 0.9 kcal/mol. The presence of the CH(2) fragment is verified by detecting the CO(2) product resulting from the reaction of CH(2) and the added O(2). The probability of the HCl formation via a hot Cl reaction with the precursor is examined to be negligible by performing two experiments, the CH(3)COCl pressure dependence and the measurement of Br(2) with Cl reaction. The HCl elimination channel under the Ar addition is verified to be slowed by 2 orders of magnitude, as compared to the Cl elimination channel. The observed fragments are proposed to dissociate on the hot ground electronic state via collision-induced internal conversion. A two-body dissociation channel is favored leading to HCl and CH(2)CO, followed by secondary dissociation.

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Section: Resultsmentioning

confidence: 97%

Section: Rotational and Vibrational Energy Deposition In Comentioning

confidence: 99%

Photodissociation of Gaseous Acetyl Chloride at 248 nm by Time-Resolved Fourier-Transform Infrared Spectroscopy: The HCl, CO, and CH₂ Product Channels

Liu¹,

Tsai²,

Liu³

et al. 2010

J. Phys. Chem. A

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“…(72) are given in Equations [59] and [60], k^3 = Tol4'G7(TOOO/T)T"9 cm^/mole^ sec, KGG = 1. Substitution of (I)^ from Equation [62] into Equation [56] followed by integration from t=0 to t=tgyg yields Equation [63] MCH3I) = k4o(C"4)o(I)eq ave . [63] amounts of methyl iodide.…”

Section: Derivation Of Rate Equationsmentioning

confidence: 99%

“…Substitution of (I)^ from Equation [62] into Equation [56] followed by integration from t=0 to t=tgyg yields Equation [63] MCH3I) = k4o(C"4)o(I)eq ave . [63] amounts of methyl iodide. This result indicates that the rate of formation of methyl iodide was determined mainly by the rate of the chain-initiation step of the free-radical mechanism.…”

Section: Derivation Of Rate Equationsmentioning

confidence: 99%

An upper limit for the methane-oxygen initation reaction in the presence of iodine-131 behind reflected shock waves

Pardini

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Kinetic Modeling of CO Production from the Reaction of CH₃with O₂in Shock Waves

Hsu¹,

Shaub²,

Creamer³

et al. 1983

Ber Bunsenges Phys Chem

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CO concentration‐time profiles have been measured by using CO laser resonance absorption in shock tube experiments on the reaction of CH3 with O2 in the temperature range from 1150 to 1560 K. Computer kinetic modeling of our profile data yielded k2 = 1.0 x 1014 e−(15,500 ± 1,100)/T cm3mol sec for the CH3 + O2 → CH3O + O reaction. An RRKM calculation, which took into consideration branching of the CH3 + O2 reaction into different product channels, revealed that by assuming a loose transition state (allowing two free internal rotations) leading to the CH3O + O product channel, we could account very satisfactorily for our results as well as those reported previously for the reaction. A three‐parameter leastsquares fit of a smooth curve covering data from three independent studies gave rise to the expression: k2 = 2.20 x 1034 (T/K)−5.94 exp (–21,300 K/T) cm3mol sec for the temperature range 1150‐2300 K.

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An upper limit for the rate constant of the bimolecular reaction CH3 + → OH + H2CO at 368 K

Cited by 14 publications

References 9 publications

Photodissociation of Gaseous Acetyl Chloride at 248 nm by Time-Resolved Fourier-Transform Infrared Spectroscopy: The HCl, CO, and CH₂ Product Channels

Photodissociation of Gaseous Acetyl Chloride at 248 nm by Time-Resolved Fourier-Transform Infrared Spectroscopy: The HCl, CO, and CH₂ Product Channels

An upper limit for the methane-oxygen initation reaction in the presence of iodine-131 behind reflected shock waves

Kinetic Modeling of CO Production from the Reaction of CH₃with O₂in Shock Waves

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An upper limit for the rate constant of the bimolecular reaction CH3 + → OH + H2CO at 368 K

Cited by 14 publications

References 9 publications

Photodissociation of Gaseous Acetyl Chloride at 248 nm by Time-Resolved Fourier-Transform Infrared Spectroscopy: The HCl, CO, and CH2 Product Channels

Photodissociation of Gaseous Acetyl Chloride at 248 nm by Time-Resolved Fourier-Transform Infrared Spectroscopy: The HCl, CO, and CH2 Product Channels

An upper limit for the methane-oxygen initation reaction in the presence of iodine-131 behind reflected shock waves

Kinetic Modeling of CO Production from the Reaction of CH3with O2in Shock Waves

Contact Info

Product

Resources

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Photodissociation of Gaseous Acetyl Chloride at 248 nm by Time-Resolved Fourier-Transform Infrared Spectroscopy: The HCl, CO, and CH₂ Product Channels

Photodissociation of Gaseous Acetyl Chloride at 248 nm by Time-Resolved Fourier-Transform Infrared Spectroscopy: The HCl, CO, and CH₂ Product Channels

Kinetic Modeling of CO Production from the Reaction of CH₃with O₂in Shock Waves