碰撞诱导的原子激发和火的建模
Yanze Wu1, Majdi Hochlaf2, George C Schatz1
1Department of Chemistry, Northwestern University, Evanston, Illinois 60208, USA.
The Journal of chemical physics
|July 1, 2024
概括
碰撞引起的原子激发对于超音速冲击波至关重要. 这项研究量化了激发截面和速率系数,揭示了原子碰撞中的自旋轨道和衍生合作用.
科学领域:
- 原子和分子物理 原子和分子物理
- 等离子体物理学的物理学
- 航空航天工程 航空航天工程
背景情况:
- 激发的原子对于超音速冲击波中的血形成至关重要.
- 应用包括航天器再入和高速车辆系统.
研究的目的:
- 为了研究高达6 eV的原子 (N(4S,N(2D,N(2P)) 中的碰撞诱导激发.
- 确定这些工艺的横截面和取决于温度的速率系数.
主要方法:
- 采用了时间独立的散射计算.
- 利用了来自多引用配置交互的潜在曲线和合.
- 开发了用于旋转轨道合矩阵计算的缩放方法.
主要成果:
- 计算的截面和速率系数与实验数据有很好的一致性.
- 确定了自旋轨道和衍生合在碰撞激发和火中的重要作用.
- 发现了两个N2P) 放松通路,以及在高温下形成N2D) 的奥格尔式机制.
结论:
- 旋转轨道和衍生合对于理解原子碰撞动态至关重要.
- 开发的缩放方法准确地纳入了细结构过渡.
- 已识别的机制对于航空航天应用中的高温等离子体环境很重要.
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