Kinetic Reaction Mechanisms
- Mueller et al.
(Link to file Mueller.txt)
The Mueller et al.
mechanism is used to model laminar H2-Air
flames. We have used Mueller et al. to compute the laminar flame speed
from low to
high pressures. The results have been confirmed by comparison with
data. In addition, we have used the Mueller et al. mechanism to
simulate partially premixed flames for a large pressure range. The
Mueller et al. mechanism is capable of reproducing the
three reaction limits of H2-Air
M.A. Mueller, T.J. Kim, R.A. Yetter, F.L. Dryer, Int. J.
Chem. Kinetics 31 (2) (1998) 113–125
Briones, I. K. Puri, and S. K. Aggarwal, "Effect of Pressure on
Counterflow H2-Air Partially Premixed Flames," Combustion and Flame,
Vol. 140, pp. 46-59, 2005.
- Li et al.
(Link to Li.txt)
The Li et al. mechanism is a revised version of the Mueller et al.
mechanism. For more information Reference:
Li, J., Zhao, Z., Kazakov,
A., and Dryer, F.L. "An Updated Comprehensive Kinetic Model for H2
Combustion", Fall Technical Meeting
of the Eastern States Section of the Combustion Institute, Penn State
University, University Park
- Dryer's heptane mechanism
(Link to Dryer_mod.txt)
The Held and Dryer mechanism is used to study the oxidation and
emission characteristics of n-heptane flames. The original oxidation
mechanism is coupled with the Li and Williams' mechanism for NOx, and
the complete mechanism consists of 54 species and 327 elementary
reactions. The results were compared with experimental measurements as
well as predictions using a more detailed Ranzi mechanism, which has
150 species and 3500 reactions. This mechanism saves a lot of
computational time but still gives good comparable results, as far as
most major species (e.g., CO, CO2, H2O, CH4 etc.), soot precursors like
acetylene (C2H2) and NOx are concerned. The mechanism also gives fairly
accurate values of NO formed by the two separate mechanisms - prompt
and thermal. It also gives fairly good estimate of minor species like
CH and CH2 which play important roles in the determination of NOx
Naha, S., and Aggarwal, S.K.: Fuel Effects on NOx
Emissions in Partially Premixed Flames, Combustion and
Flame, Volume 139, Issues 1-2, October 2004, Pages
90-105 (Download PDF)
Naha, S., Briones, A. M., and Aggarwal, S.K.: Effect
of Fuel Blends on Pollutants Emissions in Flames,
Combustion Science and Technology, Volume 177, Number
1, January 2005, Pages 183- 220
- GRI-Mech 1.2 (GRI-Mech Home, GRI-Mech
The GRI-Mech chemical kinetic mechanism is maintained
at UC Berkly. There are three major revisions of GRI-Mech. The 3.0
release of GRI-Mech includes 325 reactions and 53 species and is
the most recent revision of the mechanism. The 2.11 release containes
277 reactions and 49 species including NOx which was not present
int the 1.2 release. The 1.2 release contains 175 reactions
and 32 species. This release is commonly used because of
its relatively small size and ability to accurately predict methane-air
combustion when NOx prediction is not necessary.
- NIST Halon1301 (CF3Br)
This mechanism predicts the chemical interaction of the Halon1301 fire
suppressant with hydrocarbon fuels.