High pressure study of m-xylene oxidation

Abstract

The oxidation of m-xylene has been studied behind reflected shock waves using the single pulse shock tube at University of Illinois at Chicago. Experiments were performed at nominal high pressures of 25 and 50 atm and for a temperature range of 1024–1632 K, at fuel lean, stoichiometric and fuel rich conditions ( Φ = 0.53, 1, 2.35). A variety of stable species ranging from small hydrocarbons, to single ring and polycyclic aromatic hydrocarbons (such as naphthalene, anthracene and acenaphthylene) were sampled from the shock tube and analyzed using standard gas chromatographic techniques. Increased amounts of PAH’s were measured for experiments at fuel rich conditions ( Φ = 2.35) when compared to experiments at stoichiometric and fuel lean conditions. A detailed chemical kinetic model was developed to simulate the stable species profiles up to the formation of single ring aromatic hydrocarbons from the current high pressure oxidation experiments. The model provides a good fit for the consumption of the fuel, oxygen and the formation of the major intermediates. The model predicts lower but satisfactory consumption of the minor intermediates. The model provides a satisfactory base for further development, which includes the addition of chemistry leading to multi-ring aromatic hydrocarbons from m-xylene.