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Title: Resolution of the vibrational energy distribution function using a direct simulation Monte Carlo-master equation approach

The direct simulation Monte Carlo (DSMC) method is the primary numerical technique for analysis of rarefied gas flows. While recent progress in computational chemistry is beginning to provide vibrationally resolved transition and reaction cross sections that can be employed in DSMC calculations, the particle nature of the standard DSMC method makes it difficult to use this information in a statistically significant way. The current study introduces a new technique that makes it possible to resolve all of the vibrational energy levels by using a master equation approach along with temperature-dependent transition rates. The new method is compared to the standard DSMC technique for several heat bath and shock wave conditions and demonstrates the ability to resolve the full vibrational manifold at the expected overall rates of relaxation. The ability of the new master equation approach to the DSMC method for resolving, in particular, the high-energy states addresses a well-known, longstanding deficiency of the standard DSMC method.
Authors:
 [1] ;  [2]
  1. Department of Aerospace Engineering, University of Michigan, Ann Arbor, Michigan 48109 (United States)
  2. U.S. Air Force Research Laboratory, Wright-Patterson Air Force Base, Ohio 45433 (United States)
Publication Date:
OSTI Identifier:
22482488
Resource Type:
Journal Article
Resource Relation:
Journal Name: Physics of Fluids (1994); Journal Volume: 28; Journal Issue: 1; Other Information: (c) 2016 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; ENERGY LEVELS; ENERGY SPECTRA; EQUATIONS; GAS FLOW; MONTE CARLO METHOD; RESOLUTION; SHOCK WAVES; SIMULATION; TEMPERATURE DEPENDENCE