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arXiv 0901.1746astro-ph.GAphysics.chem-ph
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冷稠密星际云中中性-中性反应C + C3和C + C5的灵敏度研究

A sensitivity study of the neutral-neutral reactions C + C3 and C + C5 in cold dense interstellar clouds

Valentine Wakelam, Jean-Christophe Loison, Eric Herbst, Dahbia Talbi, Dongui Quan, Françoise Caralp

摘要:

用于星际云模型的化学网络包含许多反应,其中一些反应的速率系数和/或产物很难确定。在这项工作中,我们报告了一种方法,用于提高使用灵敏度方法和从头计算的分子丰度的预测。2003年的化学网络的基础上,我们使用了两种不同的灵敏度的方法来确定最重要的反应作为一个密集的冷云模型的时间函数。在这些反应中,我们集中在C和C3之间以及C和C5之间的反应,因为它们对特定的重要物种如CO的影响以及它们对大量物种的一般影响。然后,我们使用从头算和动力学方法来确定一个改进的速率系数为前一个反应和一组新的产品,加上一个略有变化的速率系数为后者。将我们的新结果放在冷密云的伪时间依赖模型中,我们发现许多物种的丰度在早期发生了变化,这是基于CO和原子C丰度的巨大变化。我们比较了这些新的速率系数/产品的效果与观测丰度的比较,发现他们转移的最佳协议从3e 4年到(1-3)e5年。

英文摘要:

Chemical networks used for models of interstellar clouds contain many reactions, some of them with poorly determined rate coefficients and/or products. In this work, we report a method for improving the predictions of molecular abundances using sensitivity methods and ab initio calculations. Based on the chemical network osu.2003, we used two different sensitivity methods to determine the most important reactions as a function of time for models of dense cold clouds. Of these reactions, we concentrated on those between C and C3 and between C and C5, both for their effect on specific important species such as CO and for their general effect on large numbers of species. We then used ab initio and kinetic methods to determine an improved rate coefficient for the former reaction and a new set of products, plus a slightly changed rate coefficient for the latter. Putting our new results in a pseudo-time-dependent model of cold dense clouds, we found that the abundances of many species are altered at early times, based on large changes in the abundances of CO and atomic C. We compared the effect of these new rate coefficients/products on the comparison with observed abundances and found that they shift the best agreement from 3e4 yr to (1-3)e5 yr.

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