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Nitromethane dissociation: Implications for the CH3 + NO2 reaction

โœ Scribed by P. Glarborg; A. B. Bendtsen; J. A. Miller


Publisher
John Wiley and Sons
Year
1999
Tongue
English
Weight
201 KB
Volume
31
Category
Article
ISSN
0538-8066

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โœฆ Synopsis


The thermal decomposition of nitromethane under highly diluted conditions in shock tubes has been analyzed in terms of a detailed chemical kinetic model. The experimental data were adopted from Gla ยจnzer and Troe, Hsu and Lin, and Zhang and Bauer, respectively; they cover the temperature range and pressures from 0.5 to 6.0 bar. Based on 1000-1400 K these results, rate constants for the reactions (R1) and CH NO (ฯฉM) L CH ฯฉ NO (ฯฉM)

The high and low pressure limits for reaction (R1) determined by Gla ยจnzer and Troe have been shown to be consistent with more recent shock tube data, provided a center broadening parameter is introduced to describe the fall-off behavior. Our reinterpretation of the shock tube results of Gla ยจnzer and Troe together with room temperature measurements indicate that the rate constant for (R14) decreases slightly with temperature, as 13 ฯช0.2 k ฯญ 4.0 โ€ข 10 T 14 At high temperatures and atmospheric pressure this reaction is more than an 3 ฯช1 ฯช1 cm mol s . order of magnitude faster than recombination of CH 3 and NO 2 to form nitromethane. Based on the available data for the forward and reverse rate of reaction (R1) a value of 66.7 ฯฎ 2.0 cal/(mol K) for the entropy S 0,298 of CH 3 NO 2 is estimated.


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