论文标题
重型影响振动激发和分离过程$ _2 $
Heavy-Impact Vibrational Excitation and Dissociation Processes in CO$_2$
论文作者
论文摘要
提出了CO $ _2 $的重型振动激发和解离模型。该州对国家模型基于强制谐波振荡器（FHO）理论，它比基于一阶扰动理论的CO $ _2 $的当前状态更准确。在我们的模型中考虑了第一个激动的三重态状态$^{3} $ b $ _ {2} $，包括其振动结构，包括其振动结构，并且还提出了更一致的CO $ _2 $分离方法。该模型针对几个学术0D病例进行了基准测试，并将其与冲击管中的分解时间测量进行了比较。我们的模型被证明具有合理的预测能力，并且发现Co $ _2 $+$+$ $ \ leftrightArrow $ CO $+$ o $ $ _2 $被发现对Co $ _2 $震惊的流量的分离动态产生了关键影响，并保留进一步的理论研究。我们以讨论理论改进的讨论来结束这项研究，这些改进仍需要对CO $ _2 $的振动动态进行更一致的分析，讨论了振动混乱的概念以及其可能应用于Co $ _2 $的概念。还讨论了进一步的实验工作来校准此类状态模型的必要性，并提出了用于冲击流中新型实验的路线图。
A heavy-impact vibrational excitation and dissociation model for CO$_2$ is presented. This state-to-state model is based on the Forced Harmonic Oscillator (FHO) theory which is more accurate than current state of the art kinetic models of CO$_2$ based on First Order Perturbation Theory. The first excited triplet state $^{3}$B$_{2}$ of CO$_2$, including its vibrational structure, is considered in our model, and a more consistent approach to CO$_2$ dissociation is also proposed. The model is benchmarked against a few academic 0D cases and compared to decomposition time measurements in a shock tube. Our model is shown to have reasonable predictive capabilities, and the CO$_2$ $+$ O $\leftrightarrow$ CO $+$ O$_2$ is found to have a key influence on the dissociation dynamics of CO$_2$ shocked flows, warranting further theoretical studies. We conclude this study with a discussion on the theoretical improvements that are still required for a more consistent analysis of the vibrational dynamics of CO$_2$, discussing the concept of vibrational chaos and its possible application to CO$_2$. The necessity for further experimental works to calibrate such state-to-state models is also discussed, with a proposed roadmap for novel experiments in shocked flows.
