Accession Number:

ADA454760

Title:

O+HCI Cross Sections and Reaction Probabilities in DSMC

Descriptive Note:

Technical Paper

Corporate Author:

AIR FORCE RESEARCH LAB EDWARDS AFB CA PROPULSION DIRECTORATE

Personal Author(s):

Report Date:

2006-06-28

Pagination or Media Count:

7.0

Abstract:

A chemical reaction model, suitable for use in the Direct Simulation Monte Carlo DSMC method, is developed to simulate hypervelocity collisions of an important reaction in atmospheric-jet interactions O3PHCI1931 8594 OH2928C12P. The model utilizes the Quasi-Classical Trajectory QCT method with two potential energy surfaces PES, new benchmark triple A8243 and A8242 surfaces 1 and London-Eyring-Polanyi-Sato LEPS PES.2 The sensitivity of the flow to the fidelity of the chemical model is investigated for the new QCT-derived model and the widely used Total Collision Energy TCE model of Bird.3 The adequacy of the total collision cross section is also considered, and to obtain accurate collision cross sections, the Dynamic Molecular Collision model of Tokumasu and Matsumoto4 is assumed and the collision cross section is obtained by using the MDQCT method with the aforementioned potential energy surfaces. The magnitude of the inelastic cross section is small compared to the total cross section for both PESs. Therefore, MDQCT VHS-equivalent collision cross sections are obtained and along with the MDQCT reaction cross sections are utilized in the full DSMC calculation of the flow field. It is found that chemical reaction models do not affect the general flowfield, however, the OH production rate is dependent on the chemical reaction model.

Subject Categories:

  • Numerical Mathematics
  • Fluid Mechanics

Distribution Statement:

APPROVED FOR PUBLIC RELEASE