甲烷的电子碰撞中性解离及完整一致的截面集
Neutral dissociation of methane by electron impact and a complete and consistent cross section set
摘要：
我们目前的截面的中性解离甲烷，在很大程度上通过分析近似。利用这些横截面，可以扩展Song $\textit{et al.}$ [J. Phys.Chem.Ref.Data，$\textbf{44}$，023101，（2015）]的工作，这导致具有高达100 eV能量的电子与甲烷分子碰撞的完整且一致的一组截面。值得注意的是，所得到的截面集不需要任何数据拟合来产生与实验匹配的批量群参数。因此，一致性可以被认为是集合的固有特性，因为群参数专门用于截面的验证。甲烷的中性解离是必不可少的，包括（1）因为它是甲烷等离子体中至关重要的电子能量汇，以及（2）因为它在很大程度上有助于产生对等离子体化学过程至关重要的氢自由基。最后，我们比较了一个群体拟合的数据集与我们的氢物种的生产率。两个一致的截面组预测了不同的产生速率，对于H $_2$的产生，$45\%$（在$100$ Td）和$125\%$（在$50$ Td）存在差异，而H的产生趋势相似。通过这种比较，我们强调，用于确保电子群参数的一致性的群拟合过程可能会恶化化学生产率估计的准确性。这对于强调气体的等离子体化学活化的应用特别重要。
英文摘要：
We present cross sections for the neutral dissociation of methane, in a large part obtained through analytical approximations. With these cross sections the work of Song $\textit{et al.}$ [J. Phys. Chem. Ref. Data, $\textbf{44}$, 023101, (2015)] can be extended which results in a complete and consistent set of cross sections for the collision of electrons with up to 100 eV energy with methane molecules. Notably, the resulting cross section set does not require any data fitting to produce bulk swarm parameters that match with experiments. Therefore consistency can be considered an inherent trait of the set, since swarm parameters are used exclusively for validation of the cross sections. Neutral dissociation of methane is essential to include (1) because it is a crucial electron energy sink in methane plasma, and (2) because it largely contributes to the production of hydrogen radicals that can be vital for plasma-chemical processes. Finally, we compare the production rates of hydrogen species for a swarm-fitted data set with ours. The two consistent cross section sets predict different production rates, with differences of $45\%$ (at $100$ Td) and $125\%$ (at $50$ Td) for production of H$_2$ and a similar trend for production of H. With this comparison we underline that the swarm-fitting procedure, used to ensure consistency of the electron swarm parameters, can possibly deteriorate the accuracy with which chemical production rates are estimated. This is of particular importance for applications with an emphasis on plasma-chemical activation of the gas.
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