Nonequilibrium Kinetics in High-Enthalpy Air
Abstract
The proposed research focuses on developing predictive capability for nonequilibrium air dissociation in hypersonic flows. The most widely used dissociation rates were obtained from only a few experiments performed in the 1960s and 70s, where rates vary between 1-2 orders of magnitude. The present model (the Park TTv model) has been in widespread use for many years, despite known deficiencies. The overall goal of the proposed research is to completely replace such empirical models with new CFD models for air dissociation based on first-principles quantum chemistry calculations. This involves four main objectives: (i) the use of quantum mechanical electronic structure calculations to develop new potential energy surfaces (PESs) for N2 and O2 collisions with N2, O2, NO, N, and O (ii) globally fitting the surfaces (iii) calculating collision dynamics as well as the internal energy state relaxation and dissociation processes resulting from the dynamics; and (iv) collecting the vast amount of new information generated from these first-principles calculations into new computational fluid dynamics (CFD) models for widespread use in the aerothermodynamics community.
Document Details
- Document Type
- Technical Report
- Publication Date
- May 03, 2019
- Accession Number
- AD1086096
Entities
People
- Thomas Schwartentruber
Organizations
- Regents of the University of Minnesota