Global reduced mechanisms for methane and hydrogen combustion with nitric oxide formation constructed with CSP data

Abstract

Reduced mechanisms for methane-air and hydrogen-air combustion including NO formation have been constructed with the computational singular perturbation (CSP) method using the fully automated algorithm described by Massias et al. The analysis was performed on solutions of unstrained adiabatic premixed flames with detailed chemical kinetics described by GRI 2.11 for methane and a 71-reaction mechanism for hydrogen including NO x formation. A 10-step reduced mechanism for methane has been constructed which reproduces accurately laminar burning velocities, flame temperatures and mass fraction distributions of major species for the whole flammability range. Many steady-state species are also predicted satisfactorily. This mechanism is an improvement over the seven-step set of Massias et al, especially for rich flames, because the use of HCNO, HCN and C2H2 as major species results in a better calculation of prompt NO. The present 10-step mechanism may thus also be applicable to diffusion flames. A five-step mechanism for lean and hydrogen-rich combustion has also been constructed based on a detailed mechanism including thermal NO. This mechanism is accurate for a wide range of the equivalence ratio and for pressures as high as 40 bar. For both fuels, the CSP algorithm automatically pointed to the same steady-state species as those identified by laborious analysis or intuition in the literature and the global reactions were similar to well established previous methane-reduced mechanisms. This implies that the method is very well suited for the study of complex mechanisms for heavy hydrocarbon combustion.M This article features supplementary data files available from the supplemental page in the online journal.