Modeling high pressure ethane oxidation and pyrolysis

摘要

A previously developed detailed chemical kinetic model for ethane oxidation and pyrolysis hasbeen extended by considering the impact of much higher pressures on the chemically- and thermally-activated reactions in the mechanism. The resulting mechanism is now compared to data atmuch higher pressures. These data include both ethane oxidation and pyrolysis shock tube experimentsup to pressures of 986 atm as well as autoignition and ethane dissociation data near10 atm. The temperature and pressure dependencies of the rate coefficients in the model are representedby Chebyshev polynomials. This model, with no adjustments, describes the varied experimentaldata very well. A first order sensitivity analysis identified the most important reactions in each of thekinetic regimes. These results, coupled with the earlier validation studies at lower pressures, suggestthis model is broadly applicable to analysis of ethane pyrolysis and oxidation over very wide temperatureand pressure ranges.