Reactive Collisions and Final State Analysis of C- and O-Involving Reactions Relevant to the Hypersonic Flight Regime
Abstract
The determination of thermal and vibrational relaxation rates of triatomic systems suitable for application in hypersonic model calculations is discussed. For this, potential energy surfaces for ground and electronically excited state species need to be computed and represented with high accuracy and quasiclassical or quantum nuclear dynamics simulations provide the basis for determining the relevant rates. These include thermal reaction rates, state-to-state cross sections, and vibrational relaxation rates. For exemplary systems - [NNO], [NOO], and [CNO] - all individual steps are described and a literature overview for them is provided. Finally, as some of these quantities involve considerable computational expense, for the example of state-to-state cross sections the construction of an efficient model based on neural networks is discussed. All such data is required and being used in more coarse-grained computational fluid dynamics simulations.
Document Details
- Document Type
- Technical Report
- Publication Date
- Jan 21, 2022
- Accession Number
- AD1164135
Entities
People
- Markus Meuwly
Organizations
- University of Basel