Detailed chemical kinetic mechanisms for hydrocarbon combustion have been developed by many researchers over the last three decades. Based on this extensive knowledgebase, most of the elementary reactions have been classified into groups and their rate rules have been proposed . It is now possible to automate the development of detailed mechanisms for fuel combustion using these reaction classes and rate rules. Several research groups have developed software to generate mechanisms In contrast to previous efforts, the Dow Reaction Generator is built not from ground up, but based on de-facto standards of chemical information management from Daylight Systems , which uses canonical SMILES strings for compound naming, SMARTS for substructure identification, and SMIRKS generic reaction mapping, as described for the Daylight programming libraries. In this work, the Reaction Generator has been extended to generate detailed kinetic mechanisms of model-fuels for gasoline to be used in engine combustion simulations.
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