Molecular processes at the extreme temperatures relevant for the hypersonic flight regime
Abstract
Modeling the thermo chemistry around a spacecraft during re entry is crucial for a precise design of its thermal protection system. Such models depend on the reaction and internal energy relaxation rates of the gas surrounding the vehicle. Due to the large amount of N, O, Ar, and C present in the atmospheres of both Earth and Mars, a comprehensive understanding of the reactions involving such elements is of great interest to the hypersonic flight regime. Many of these reactions have yet to be studied at high temperatures. The principal goal of the attached research project proposal is a theoretical investigation of the non equilibrium dynamics of reactions occurring around the surface of vehicles during atmospheric re entry. The proposed 36 month research would start with the generation of the full dimensional reactive potential energy surfaces from ab initio energies, computed at a high level of theory. These surfaces would then be used for analyzing the vibrational, rotational, and kinetic energy transfers, using the quasi classical trajectory method. From such trajectories, the non equilibrium rate coefficients, which depend on both vibrational and translational temperatures, and the vibrational state to state rate coefficients would be determined. The non adiabatic dynamics would also be studied by applying the trajectory surface hopping method. This proposed work would provide the necessary data for key reactions at the extreme temperatures typical of the hypersonic flight regime.
Document Details
- Document Type
- DoD Grant Award
- Publication Date
- Jan 14, 2022
- Source ID
- FA95501910266
Entities
People
- Otoniel Denis Alpizar
Organizations
- Air Force Office of Scientific Research
- Autonomous University of Chile
- United States Air Force