Saturday, January 29, 2011

Mechanism Library

from-www.galcit.caltech.ed
Here are a selection of Chemkin-II format reaction mechanism files that we have used in our research. No claims are made as to the appropriateness or accuracy of the mechanisms, or even to the fidelity to the original literature sources. In some cases, reactions had to modified or species added/removed in order to make the mechanism work. For the most part, modifications or interpretations of the original data are commented within each mechanism file. In order to use these with the Chemkin-II software, it is necessary to use the thermodynamic database provided with Chemkin-II, in addition to the thermo data specified at the front of each file. In addition, some mechanisms are so large that it may be necessary to modify your array dimensions within Chemkin to accomodate the large number of reactions and species.
Validation of some of these mechanisms against shock tube data is discussed in [1] for problems involving N2O, H2, and CH4. Validation for H2-, C2H4-, and C3H8-air/O2 mixtures is discussed in .
 
The mechanisms listed below have been successfully processed by the Chemkin interpreter on our system, and the output is available here for comparison. The interpreter output file names are fairly self-explanatory, based on the mechanism file names with ``.out'' appended. In most cases, the Chemkin thermodynamic database was used, but in cases where a special thermodynamic data file was provided with the mechanism, it was used instead

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