The modeling of chemical reactions and thermochemical nonequilibrium in particle simulation computations

Details The modeling of chemical reactions and thermochemical nonequilibrium in particle simulation computations The modeling of chemical reactions and thermochemical nonequilibrium in particle simulation computations

Jun 1998

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=1998phfl...10.1344g&link_type=abstract

Physics of Fluids, Volume 10, Issue 6, pp. 1344-1358 (1998).

Physics

1

Chemically Reactive Flows, Chemical Kinetics And Reactions: Special Regimes And Techniques, Chemical Equilibria And Equilibrium Constants, Supersonic And Hypersonic Flows

Scientific paper

The treatment of chemical reactions and nonequilibrium energy exchange in Direct Simulation Monte Carlo calculations is examined. Details of a Maximum Entropy chemical reaction model are presented that is based on the classical scheme devised by Levine and Bernstein. Data are given for all of the significant reactions that occur in hypersonic reentry flight into the atmospheres of the Earth, Mars, and Venus. The method is an extension of that described and used previously by the authors (Gallis and Harvey [J. Fluid Mech. 312, 149 (1996); AIAA J. 34(7), 1378 (1996)]) and now includes carbon dioxide/nitrogen and ionic reactions. The model allows an appropriate dependence of each reaction on its controlling energy mode and avoids inappropriate use of equilibrium distributions to determine the reaction probabilities and post-collision energy reallocation. Sample flow solutions are given and comparisons are made with results obtained using continuum solvers.

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