Reaction cross sections for two direct simulation Monte Carlo models: Accuracy and sensitivity analysis

Abstract

The quantum kinetic chemical reaction model proposed by Bird for the direct simu- lation 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 a table of these com- puted 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.


Autore Pugliese

Tutti gli autori

  • I. Wysong; S. Gimelshein; N. Gimelshein; W. McKeon; F. Esposito

Titolo volume/Rivista

Physics of fluids


Anno di pubblicazione

2012

ISSN

1089-7666

ISBN

Non Disponibile


Numero di citazioni Wos

Nessuna citazione

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Settori ERC

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Codici ASJC

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