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首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >Kinetics of the O(~3P) + N_2O Reaction. 2. Interpretation and Recommended Rate Coefficients
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Kinetics of the O(~3P) + N_2O Reaction. 2. Interpretation and Recommended Rate Coefficients

机译：O（〜3P）+ N_2O反应的动力学。 2.解释和建议比率系数

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The reaction O(~3P) + N_2O is important to models of NO_x pollutant and propellant chemistry and to the understanding of the thermal decomposition of N_2O, which has historically played a key role in the development of unimolecular reaction theory. The reaction has two important product channels: O + N_2O → NO + NO (ΔH_0 = -36 kcal/mol) (R1); O + N_2O → O_2 + N_2 (ΔH_0 = -79 kcal/mol) (R2). Rate coefficients of these reactions have been the subject of several reviews. However, clear reasons why many of the evaluated, nonretained data differ from recommendations have not previously been known. There has been a great deal of controversy over the rate coefficients, particularly for reaction R2. Here, the relevant data are critically evaluated using detailed chemical modeling as an important tool. The results explain many of the discrepancies. Some of the data of central importance in earlier evaluations are shown to be incorrect. Additionally, some important features of the global behavior of the mixtures studied, which had previously not been understood, are explained, and the possible effects of hypothetical H_2O contamination on N_2O shock tube studies was quantitatively investigated. It is shown that the bulk of the rate coefficient results remaining after the evaluations can be combined with the intermediate temperature results for k_(tot) = k_1 + k_2 from FGFAM (Fontijn, A.; Goumri, A.; Fernandez, A.; Anderson, W. R.; Meagher, N. E. J. Phys. Chem., preceding paper in this issue) to obtain fitted recommendations: k_1 = 1.52 * 10~(-10) exp(-13 930/T) cm~3 molecule~(-1) s~(-1) (1370-4080 K); k_2 = 6.13 * 10~(-12) exp(-8,020/T) cm~3 molecule~(-1) s~(-1) (1075-3340 K). Until recently, it was believed rate coefficients of the two product channels were approximately equal over a very wide temperature range. In contrast, the present study has led to the conclusion that reaction R2 dominates below, and reaction R1 above, 1840 K.
机译：O（〜3P）+ N_2O反应对于NO_x污染物和推进剂化学模型以及对N_2O的热分解的理解非常重要，而N_2O的历史在单分子反应理论的发展中起着关键作用。反应具有两个重要的产物通道：O + N_2O→NO + NO（ΔH_0= -36 kcal / mol）（R1）; O + N_2O→O_2 + N_2（ΔH_0= -79 kcal / mol）（R2）。这些反应的速率系数已成为若干评论的主题。但是，以前尚不知道许多评估的非保留数据与建议不同的明显原因。速率系数方面存在很多争议，特别是对于反应R2。在此，使用详细的化学建模作为重要工具对相关数据进行严格评估。结果解释了许多差异。一些在早期评估中具有重要意义的数据被证明是不正确的。此外，还解释了以前尚未了解的混合物整体行为的一些重要特征，并定量研究了假设的H_2O污染对N_2O冲击管研究的可能影响。结果表明，评估后剩余的大部分速率系数结果可以与来自FGFAM的k_（tot）= k_1 + k_2的中间温度结果结合起来（Fontijn，A .; Goumri，A .; Fernandez，A .; WR; Anderson，WR; Meagher，NEJ Phys。Chem。，本期先前论文）获得合适的建议：k_1 = 1.52 * 10〜（-10）exp（-13 930 / T）cm〜3分子〜（-1） s〜（-1）（1370-4080 K）; k_2 = 6.13 * 10〜（-12）exp（-8,020 / T）cm〜3分子〜（-1）s〜（-1）（1075-3340 K）。直到最近，人们认为两个产品通道的速率系数在非常宽的温度范围内大约相等。相反，本研究得出的结论是，反应R2在以下占主导地位，反应R1在1840 K以下占主导地位。

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