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Oxidation mechanisms even for rather simple hydrocarbons like heptane consist due to the occurrence of many isomeric structures of thousands of reactions of hundreds of species. The automatic generation of these reaction mechanisms using artificial intelligence means is described. Results are presented for n‐heptane‐air mixtures, where a hand‐written reaction mechanism tested against experimental data is available.
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Chevalier et al. (1990) studied this question.
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