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The blend of gasoline surrogate mechanism and NO mechanism

已有 2776 次阅读 2014-7-7 15:35 |系统分类:科研笔记

Comparing with Chemkin, Cantera is open and free, although much slower.

The existed chemical mechanisms are almost all in Chemkin format which cannot be used by Cantera.

The gasoline surrogate mechanism from Lawrence Livermore National Laboratory and the NO mechanism developed by Dagaut were blended and converted into "xml" format for Cantera.

Disagreement was found for the rate constant of elementary reaction "CH3O2H+H<=>CH3O2+H2" between these two mechanisms. In order to make LLNL's mechanism intact, repeated reaction from NO mechanism was deleted.


The file attached could be read by Cantera directly.


Gasoline_NO_mech.xml




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