Reaction Cross Sections for Two DSMC Models: Accuracy and Sensitivity Analysis
AIR FORCE RESEARCH LAB EDWARDS AFB CA PROPULSION DIR/SPACE AND MISSILE PROPULSION DIV/AEROPHYSICS BRANCH
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The Quantum Kinetic chemical reaction model proposed by Bird for the direct simulation Monte Carlo method is based on collision kinetics with no assumed Arrhenius-related parameters. It demonstrates an excellent agreement with the best estimates for thermal reaction rates coefficients and with two-temperature nonequilibrium rate coefficients for high-temperature air reactions. This paper investigates this model further, concentrating on the non-thermal reaction cross sections as a function of collision energy, and compares its predictions with those of the earlier total collision energy model, also by Bird, as well as with available quasi-classical trajectory cross section predictions this paper also publishes for the first time the complete sets of these computed reaction cross sections. A rarefied hypersonic flow over a cylinder is used to examine the sensitivity of the number of exchange reactions to the differences in the two models under a strongly nonequilibrium velocity distribution.
- Physical Chemistry