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Mechanism
Based on the work:
"A criterion based on computational singular perturbationfor the
identification of quasi steady state species:A reduced mechanism
for methane oxidationwith NO chemistry" by Tianfeng Lu, Chung
K. Law, Combustion and Flame, Vol. 154, pp 761-774 (2008)
Abstract:
A criterion based on computational singular perturbation (CSP)
is proposed to effectively distinguish the quasisteady state (QSS)
species from the fast species induced by reactions in partial
equilibrium. Together with themethod of directed relation graph
(DRG), it was applied to the reduction of GRI-Mech 3.0 for methane
oxidation,leading to the development of a 19-species reduced
mechanism with 15 lumped steps, with the concentrationsof the QSS
species solved analytically for maximum computational efficiency.
Compared to the 12-step and 16-species augmented reduced mechanism
(ARM) previously developed by Sung, Law & Chen, three species,
namelyO, CH3OH, and CH2CO, are now excluded from the QSS species
list. The reduced mechanism was validatedwith a variety of
phenomena including perfectly stirred reactors, auto-ignition, and
premixed and non-premixedflames, with the worst-case error being
less than 10% over a wide range of parameters. This mechanism
wasthen supplemented with the reactions involving NO formation,
followed by validations in both homogeneous anddiffusive
systems.