Evaluation of several detailed chemical kinetics mechanisms for the high-temperature oxidation of C2Hx fuels
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Several, modern, detailed chemical kinetics mechanisms available in the literature are compared to experimental data obtained behind reflected shock waves over the temperature range 1100 < T < 2000K at pressures near 1 atm. Mixtures consisted of C2H2, C2H4, or C2H6, with oxygen, highly diluted in Argon. Because the shock-tube data were obtained from emission by the electronically excited OH and CH radicals (i.e. OH* and CH*) via the A→X transition, an additional mechanism accounting for these molecules is proposed and employed throughout. Of the mechanisms tested, that of Wang and Laskin shows best agreement with the data over the range of conditions and compounds studied, typically agreeing with the data within 10%, and showing a maximum error of 50%. Each mechanism is tested for its ability to predict ignition delay time as a function of inverse temperature and species concentration as a function of time. Results suggest that excellent modeling of C2Hx combustion is possible if care is taken to select the proper mechanism for the conditions of interest. The final result is a database for validation of future efforts in the field of combustion chemistry, and an accurate model of two common combustion diagnostics (OH* and CH*). Both results have applications in aerospace propulsion and materials synthesis.
author list (cited authors)
Hall, J. M., & Petersen, E. L.