A new OH vibrational distribution model developed using molecular dynamics

Deborah A. Levin, Sergey F. Gimelshein

Research output: Chapter in Book/Report/Conference proceedingConference contribution


A semi-classical molecular dynamics approach is used to model the dissociation of water to form the hydroxyl radical. The unimolecular dissociation of water is used to calculate the probability of reaction as well as determine the product OH translational, vibrational, and rotational energy distributions. The molecular dynamics probabilities of reactions and product distributions are used in the direct simulation Monte Carlo method to model spatial distribution and temperatures of OH in the bow-shock of a 5 km/sec vehicle at 80 and 100 km. Ultraviolet spectra of the OH(X→A) transition are computed and compared with data from the Bow Shock Ultraviolet Flight Experiment 2. Excellent agreement of the spectral features between theory and experiment is obtained.

Original languageEnglish (US)
Title of host publicationRarefied Gas Dynamics
Subtitle of host publication22nd International Symposium
EditorsTimothy J. Bartel, Michael A. Gallis
PublisherAmerican Institute of Physics Inc.
Number of pages8
ISBN (Electronic)0735400253
StatePublished - Aug 30 2001
Externally publishedYes
Event22nd International Symposium on Rarefied Gas Dynamics - Sydney, Australia
Duration: Jul 9 2000Jul 14 2000

Publication series

NameAIP Conference Proceedings
ISSN (Print)0094-243X
ISSN (Electronic)1551-7616


Other22nd International Symposium on Rarefied Gas Dynamics

ASJC Scopus subject areas

  • Physics and Astronomy(all)


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