For comparisons of multiple simulations against experiments for a given target flame, it is important to use a common chemical kinetic mechanism or a set of preferred mechanisms that have been well tested and are known to give reasonable consistent results. The TNF organizers hope to provide a list of suggested mechanisms for all fuels relevant to the TNF Workshop in the near future.
Current (2026) information on three mechanisms relevant to TNF target flames of NH3/H2 blends have been extensively compared to experimental data in a document provided below, which includes references and links for those three mechanisms.
The reduced mechanisms given for H2, CO, CH4, and CH3OH are not up to date. They were used in the early years of the TNF workshop and will be retained here for historical reference.
| NH3/H2 | Alessandro Stagni and Timoteo Dinelli have a provided extensive comparisons of the latest versions (April 2026) of three chemical kinetic mechanisms (C3MechLite V4.0.1, CRECK 2025, and KAUST 2024) against a wide range of experimental data considered relevant to simulation of the TNF turbulent ammonia-hydrogen target flames. |
| Document | |
| nh3h2_chemicalkinetics.pdf | |
| H2 | The following 5-step reduced mechanism of Chen, Chang, and Koszykowski, Combust. Sci. Tech. 1995, vol 110-111, pp. 505-529. |
| Data Files | |
| h2-5step.zip | |
| 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. |
| Data Files | |
| 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. | |
| Data Files | |
| ARM2.zip | |
| 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. | |
| Data Files | |
| ChenCH4.zip | |
| A detailed mechanism from Lindstedt and coworkers (48 species, 303 reactions) has been made available in Chemkin II format. | |
| Data Files | |
| 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. |
| Data Files | |
| methanol.zip |