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Chemistry Modeling for Aerothermodynamics and TPS
- Source :
- 2nd International Planetary Probe Workshop.
- Publication Year :
- 2005
- Publisher :
- United States: NASA Center for Aerospace Information (CASI), 2005.
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Abstract
- Recent advances in supercomputers and highly scalable quantum chemistry software render computational chemistry methods a viable means of providing chemistry data for aerothermal analysis at a specific level of confidence. Four examples of first principles quantum chemistry calculations will be presented. Study of the highly nonequilibrium rotational distribution of a nitrogen molecule from the exchange reaction N + N2 illustrates how chemical reactions can influence rotational distribution. The reaction C2H + H2 is one example of a radical reaction that occurs during hypersonic entry into an atmosphere containing methane. A study of the etching of a Si surface illustrates our approach to surface reactions. A recently developed web accessible database and software tool (DDD) that provides the radiation profile of diatomic molecules is also described.
- Subjects :
- Inorganic, Organic And Physical Chemistry
Subjects
Details
- Language :
- English
- Database :
- NASA Technical Reports
- Journal :
- 2nd International Planetary Probe Workshop
- Publication Type :
- Report
- Accession number :
- edsnas.20070014615
- Document Type :
- Report