Kinetics of the reactions of CH3O and CD3O with NO

McCaulley, James A.; Moyle, Alfred M.; Golde, Michael F.; Anderson, S. M.; Kaufman, F.

doi:10.1039/ft9908604001

Cited by 21 publications

(20 citation statements)

References 19 publications

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“…The reaction with NO follows either a disproportionation pathway to HNO + CH 2 O (R4) or an association path to CH 3 ONO (R5). The preferred rate expressions are taken from the study by Caralp et al [84], who interpreted their own measurements of the overall rate of NO + CH 3 O and data from the literature [85][86][87][88] in terms of a multichannel RRKM analysis. The potential energy surface calculations indicated that the disproportionation reaction (R4) occurs simultaneously by direct Habstraction at the nitrogen atom of NO and by formation of the adduct CH 3 ONO * followed by rearrangement and bond cleavage to HNO + CH 2 O.…”

Section: No X /Alkoxy Reactionsmentioning

confidence: 99%

Sensitizing effects of NOx on CH4 oxidation at high pressure

Rasmussen

Glarborg

2008

Combustion and Flame

131

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Section: No X /Alkoxy Reactionsmentioning

confidence: 99%

Sensitizing effects of NOx on CH4 oxidation at high pressure

Rasmussen

Glarborg

2008

Combustion and Flame

131

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“…The reaction with NO follows either a disproportionation pathway to HNO + CH 2 O (R76) or an association path to CH 3 ONO (R77). The preferred rate expressions are taken from the study by Caralp et al 140 who interpreted their own measurements of the overall rate of NO + CH 3 O and data from the literature 141–144 in terms of a multichannel RRKM analysis. The potential energy surface calculations indicated that the disproportionation reaction (R76) occurs simultaneously by direct H‐abstraction at the nitrogen atom of NO, and by formation of the adduct CH 3 ONO* followed by rearrangement and bond cleavage to HNO + CH 2 O.…”

Section: Chemical Kinetic Modelmentioning

confidence: 99%

Methanol oxidation in a flow reactor: Implications for the branching ratio of the CH₃OH+OH reaction

Rasmussen

Wassard

Dam‐Johansen

et al. 2008

Int J of Chemical Kinetics

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The oxidation of methanol in a flow reactor has been studied experimentally under diluted, fuel-lean conditions at 650-1350 K, over a wide range of O 2 concentrations (1%-16%), and with and without the presence of nitric oxide. The reaction is initiated above 900 K, with the oxidation rate decreasing slightly with the increasing O 2 concentration. Addition of NO results in a mutually promoted oxidation of CH 3 OH and NO in the 750-1100 K range. The experimental results are interpreted in terms of a revised chemical kinetic model. Owing to the high sensitivity of the mutual sensitization of CH 3 OH and NO oxidation to the partitioning of CH 3 O and CH 2 OH, the CH 3 OH + OH branching fraction could be estimated as α = 0.10 ± 0.05 at 990 K. Combined with low-temperature measurements, this value implies a branching fraction that is largely independent of temperature. It is in good agreement with recent theoretical estimates, but considerably lower than values employed in previous modeling studies. Modeling predictions with the present chemical kinetic model is in quantitative agreement with experimental results below 1100 K, but at higher temperatures and high O 2 concentration the model underpredicts the oxidation rate.

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“…The reaction between the most simple alkoxy radical, CH 3 O, and NO has been the subject of many studies either on the rate constant [10,11,12,16] or on the product yields [13,14,15]. It is now admitted [10], that this reaction occurs via two different pathways: a disproportionation channel (dominating at low pressures) and an addition channel (becoming more important at higher pressures):…”

Section: The Reaction Of Alkoxy Radicals With Nomentioning

confidence: 99%