原子-双原子反应在稀薄气体流动中的状态空间观点
A State-Space-View of Atom-Diatom Reactions Relevant to Rarefied Gas Flow
AI总结：
本文通过状态空间分析，研究原子-双原子反应在稀薄气体流动中的能量分布，揭示了不同结构与反应性的关系，并为高超音速环境下的非平衡化学建模提供了新方法。
摘要：
对原子-双原子碰撞中能量流动的微观解析图对于理解稀薄和高超音速气体流动中的非平衡化学反应至关重要。本文采用一组全面的准经典轨迹，用于构建状态解析的概率图，并确定初始转振动子态（v,j）对结果的依赖性。量化了所有过程，包括弹性、非弹性、原子交换、反应性和原子化，揭示了不同的结构反应关系。对于[OOO]系统，从两种高质量的势能面中获得了一致的趋势，尽管它们的电子结构和表示技术不同。所得到的状态空间描述提供了高能原子-双原子碰撞中能量重新分布的全面图景，为改进高超音速和稀薄环境中的非平衡化学建模奠定了基础。
英文摘要：
A microscopically resolved picture of energy flow in atom-diatom collisions is essential for understanding the non-equilibrium chemistry in rarefied and hypersonic gas flow. Here, a comprehensive ensemble of quasi-classical trajectories on global, reactive, and ``vetted'' potential energy surfaces are employed to construct state-resolved probability maps and to determine the dependence of the outcomes on the initial ro-vibrational states $(v,j)$. The full range of processes, including elastic, inelastic, atom exchange, reactive, and atomization are quantified, revealing distinct structure reactivity relationships. For the [OOO] system consistent trends are obtained from two high-quality potential energy surfaces, despite their different electronic structure and representation techniques. The resulting state-space description provides a comprehensive picture of energy redistribution in high-energy atom-diatom collisions, forming a basis for improved modeling of non-equilibrium chemistry in hypersonic and rarefied environments.
机构、总结、中文摘要均由AI分析而来，可能存在错误，请以论文正文为准。
