Developing surrogate fuels as well as PAH or soot formation models requires detailed chemical kinetic models of all the initial species, intermediate species and reaction products. These detailed mechanisms covering the entire parameter range of technical combustion devices form the essential basis for any reduced kinetic schemes that are sufficiently small to be incorporated in state-of-the-art numerical tools.
The main focus of our current work is the development of chemical kinetic mechanisms which are able to predict the heat release and exhaust gas emissions from modern gas turbines. The methodology of this development effort is shown in Fig. 1. The consistent kinetic scheme with sub-models for H2, CO, CH4, CH3OH, C2H4, C2H5OH, C7H8, cy-C6H12, n-C7H16, i-C8H18 and n-C10H22 is based on the following principles:
This scheme is able to predict heat release, ignition delay, laminar flame velocity and PAH formation (see soot formation) for every single species mentioned previously, as well as for mixtures of those species (see Figs. 2 and 3).
The RedMaster software program has been specially developed to automatically reduce large detailed mechanisms to skeletal schemes, while still maintaining their predictive capabilities.
The program eliminates all species and reactions which have been consistently identified as being unimportant for the entire parameter range of interest. The code is able to: