O+HC1 chemistry models for hypervelocity collisions in DSMC

T. Ozawa, D. A. Levin, I. J. Wysong

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

Abstract

In earlier work,1 atmospheric-jet interaction flows were simulated using direct simulation Monte Carlo (DSMC) calculations for altitudes of 80, 120 and 160 km. At high altitudes, the O(3P)+HC1( 1Σ+) → OH(2II)+Cl(2P) reaction was found to contribute the most to OH production. However, the total collision energy (TCE) reaction probability was often found to be unphysically greater than unity. In this work, we examine in detail different reaction models such as the TCE model using the rate constants of Mahmud et al2 and Xie et al.3 In addition to the TCE model, quasi-classical trajectory (QCT) calculations were performed to obtain the reaction probability for the O+HCl reaction with the new benchmark triplet A" and A' surfaces.4 Both reaction and total collision cross sections were calculated by the QCT method. The dynamic molecule collision model was used to calculate the viscosity cross section from which the VHS-equivalent collision cross sections were derived. The tabulated QCT reaction probabilities were then used in the DSMC calculations to model OH production at 120 km. It is found that the QCT-based collision cross sections are greater than the Bird VHS cross sections, and the QCT reaction probabilities for O+HCl are lower than the TCE probabilities using the rate of Mahmud et al. Using the QCT reaction probability, the maximum reaction probability for the O+HCl reaction was found to be lower than 0.4 in the atmospheric - jet interaction flows for an altitude of 120 km and a freestrearn velocity of 5 km/s.

Original languageEnglish (US)
Title of host publicationCollection of Technical Papers - 44th AIAA Aerospace Sciences Meeting
Pages14488-14505
Number of pages18
StatePublished - 2006
Externally publishedYes
Event44th AIAA Aerospace Sciences Meeting 2006 - Reno, NV, United States
Duration: Jan 9 2006Jan 12 2006

Publication series

NameCollection of Technical Papers - 44th AIAA Aerospace Sciences Meeting
Volume19

Other

Other44th AIAA Aerospace Sciences Meeting 2006
Country/TerritoryUnited States
CityReno, NV
Period1/9/061/12/06

ASJC Scopus subject areas

  • Space and Planetary Science
  • Aerospace Engineering

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