Discrete simulation methods in combustion kinetics |
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Authors: | Don L. Bunker Bruce Garrett Tadeusz Kleindienst George Stevenson Long |
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Affiliation: | Chemistry Department, University of California, Irvine, California 92664, USA |
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Abstract: | A hybrid method, intermediate between diffential equation solution and Monte Carlo, is described for calculating the consequences of an assumed mechanism and set of rate constants. It is compared with standard methods as to simplicity, efficiency, stability, and other features. Situations in which it can replace or supplement other procedures are discussed. An example calculation is presented. It consists of a routine simulation of C3H8 oxidation with a 37-reaction mechanism and variable temperature, along with a comparison with results obtained with a collapsed mechanism, the latter simplication being one that is particularly facile when discrete stimulation is used. |
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