Experimental studies of nitromethane flames and evaluation of kinetic mechanisms

The present work reports new experimental data for premixed flames of nitromethane, CH3NO2, at atmospheric pressure, and an evaluation of two contemporary kinetic mechanisms based on these new flame studies as well as previously published experimental data on laminar burning velocity and ignition. Flames of nitromethane + air at lean (ϕ = 0.8) and rich (ϕ = 1.2) conditions were stabilized on a flat-flame burner, where profiles of CH2O, CO and NO were obtained using laser-induced fluorescence and temperature profiles using coherent anti-Stokes Raman spectroscopy. Laminar burning velocities for nitromethane + O2 + CO2 were measured using the heat flux method for ϕ = 0.8-1.3 at 348 K and ϕ = 0.8-1.6 at 358 K, and an oxidizer composition of 35% O2 and 65% CO2. In addition, the effect of the oxidizer composition was examined for a stoichiometric flame at 358 K by varying oxygen fraction from 30% to 40%. The mechanism by Mathieu et al. (Fuel 2016, 182, 597), previously not validated for flames, was able to reproduce experimental laminar burning velocities for nitromethane + air, but under predicted new results for CH3NO2 + O2 + CO2 mixtures. The mechanism by Brequigny et al. (Proc. Combust. Inst. 2014, 35, 703) under predicted experimental laminar burning velocities significantly at all investigated conditions. Previous studies have shown that none of the mechanisms can accurately predict ignition delay time over a wide range of conditions with respect to pressure, temperature, diluent and dilution ratio. The evaluation of the mechanisms reveals that the understanding of nitromethane combustion is at the present time not sufficient to produce a widely applicable mechanism.