NOx formation pathways in lean-premixed-prevapourized combustion of fuels with carbon-to-hydrogen ratio between 0.25 and 0.88

Abstract

NO x measurements in jet-stirred reactor (JSR) combustion of seven fuels are modelled using three complete chemical kinetic mechanisms. The two JSRs are operated at 1790 K, 1 atm, 2–4 ms, and the fuel-air equivalence ratio of 0.61. The modelled fuels are methanol, methane, ethane, ethene, propane, n-butane, and toluene. The experimental database also includes C1-C4 alkane mixtures, two light naphtas, four number two diesel oils, and benzene. The fuels and air are premixed, prevapourized, and preheated with a temperature-staged prevapourizer-premixer and an air-heater. Experiments show NO x and CO increase when burning fuels with increasing carbon-to-hydrogen ratio (from 0.25 to 0.88). The data are analysed using three complete chemical kinetic mechanisms: GRI 3.0 Mech., CNRS' C1-C4 hydrocarbon oxidation mechanism, and CNRS' toluene oxidation mechanism. The modelling shows that the increase in NO x with the fuel carbon-to-hydrogen ratio is because of the increase in the NO formation via NNH, Zeldovich, and nitrous oxide pathways. The NNH pathway produces between 25 and 45 per cent of the NO formed. GRI 3.0 Mech. tends to favour this pathway since it forms more O, H, and NNH reactive species than the CNRS' C1-C4 hydrocarbon mechanism. Several rate constants for NNH + O → NH + NO are considered and best agreement using two and three perfectly stirred reactor schemes is found with the rate constant k = 7 × 1013 cm3/mol/s.