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Chemistry

It would be desirable to have consistent full, skeletal, and reduced mechanisms for H2, CO, and CH4 that include NO chemistry and have been tested for a wide range of appropriate conditions. As these do not exist at present, the following reduced mechanisms are being made available to facilitate consistent comparisons of model calculations. These mechanisms were contributed by TNF participants, and most have been used in calculations of TNF target flames. They do not necessarily represent the best available mechanisms. However, their performance in the context of the TNF flames has been reasonably well documented. All mechanisms listed below are in Chemkin compatible format.

H2

5-step reduced mechanism of Chen, Chang, and Koszykowski, Combust. Sci. Tech. 1995, vol 110-111, pp. 505-529.

 
Windows UNIX
h2-5step.zip h2-5step.txt.gz
CO/H2/N2

6-step reduced mechanism from J-Y Chen intended for calculation of the Sandia/ETH-Zurich CO/H2/N2 flames. This mechanism has had limited testing, as described in the documentation.

 
Windows UNIX
CO_6step.zip
CH4

Various calculations of CH4 and natural gas flames presented at the TNF Workshops have used detailed or reduced versions of several mechanisms, including GRI Mech (versions 1.2, 2.11, and 3.0) and the mechanisms from Lindstedt and Warnatz. Only some are available for posting on the web. Comparisons of several detailed and reduced mechanisms are included in the TNF5 Proceedings and in Barlow et al. Combust. Flame 127:2102-2118 (2001). Differences in major species results from these mechanisms are considered to be small. Differences among NO predictions can be substantial.

ARM2 as used in calculations of methane flames by Steve Pope’s group at Cornell. This is a 16-step reduced mechanism, which is based on GRI Mech 2.11 and includes NO.

 
Windows UNIX
ARM2.zip ARM2.tar.gz
 

Three reduced mechanisms from J-Y Chen, including 12-step (from GRI 2.11), 13-step (from GRI 3.0), and 15-step (from GRI 3.0). All three reduced mechanisms include NO chemistry.

 
Windows UNIX
ChenCH4.zip ChenCH4.tar.gz
 

A detailed mechanism from Lindstedt and coworkers (48 species, 303 reactions) has been made available in Chemkin II format.

Windows/UNIX
Lindstedt CH4 (to be updated soon)
CH3OH

Peter Lindstedt and J-Y Chen collaborated to provide a chemkin compatible reduced mechanism for methanol, which is consistent with the reduced mechanism reported by R.P. Lindstedt and M.P. Meyer.

 
Windows UNIX
methanol.zip methanol.tar.gz
 
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