PSEUDO-DETAILED CHEMICAL KINETIC MODELING OF ANTIOXIDANT CHEMISTRY FOR JET FUEL APPLICATIONS

Chemical kinetic modeling was used to simulate the autoxidation of jet fuel including the chemistry of peroxy radical inhibiting antioxidant s and hydroperoxide decomposing species. Recent experimental measureme nts of oxygen concentration during autoxidation of model hydrocarbon s olvents were used to ''calibrate'' the rate parameters of the mechanis m. The model showed good agreement with oxygen profiles of static meas urements at 140 degrees C, At this temperature, the model predicts lar ge increases in oxidation rate upon peroxy radical inhibiting antioxid ant consumption to below 1 x 10(-5) M. At 185 degrees C we have shown that peroxy radical inhibiting antioxidants and hydroperoxide decompos ers both slow and/or delay oxidation, but the resulting oxygen profile s display different characteristics. We have shown that comparison of these profiles with fuel blending and fuel dilution measurements has t he potential to differentiate between the two types of oxidation-slowi ng species. The modeling predicts that the presence of both types of s pecies in a fuel results in a synergistic behavior.