Numerical simulation of laminar co-flow methane–oxygen diffusion flames: effect of chemical kinetic mechanisms

Abstract

Laminar co-flow methane–oxygen flames issuing into the unconfined atmosphere have been studied. A numerical model, which employs different chemical kinetics sub-models, including a skeletal mechanism with 43 reaction steps and 18 species and four global reaction mechanisms (two 2-steps and two 4-steps mechanisms), and an optically thin radiation sub-model, has been employed in the simulations. Numerical model has been validated against the experimental results available in literature. The numerical predictions from the global kinetic mechanisms have been compared with the 43-steps mechanism predictions. At all oxygen flow rates, the predictions of the distributions of temperature, mass fractions of CH4, O2 and CO2 by the 2-steps mechanisms are closer to 43-steps mechanism. The overall distribution of H2O predicted by 2-steps mechanisms is close to that of 43-steps except for the maximum value. Especially at higher oxygen flow rates, the modified 2-steps mechanism predicts these quantities much closer to those predicted by the 43-steps mechanism. Further, the 2-steps mechanisms predict location of the reaction zone accurately. However, they can just give an idea of overall CO distribution in terms of the axial and radial locations within which CO will almost be consumed, but not its maximum value in the domain. The 4-steps mechanisms predict the trend of variation of these quantities quite reasonably. However, they under-predict the location of the reaction zone. At higher oxygen flow rates, the predictions by 4-steps mechanisms becomes better, especially in the prediction of maximum CO and H2O. Over all, the modified 2-steps mechanism can be recommended for reasonable and economical predictions of oxy-rich methane flames.