EVALUATION OF METHANE COMBUSTION MECHANISMS .2. COMPARISON OF MODEL PREDICTIONS WITH EXPERIMENTAL-DATA FROM SHOCK-INITIATED COMBUSTION OF C2H2, C2H4, AND C2H6

In earlier modeling studies on methane ignition it was established that satisfactory agreement between model predictions and methane combustion experiments can only be achieved when extensive account is taken of elementary reactions forming and destroying C2 hydrocarbons. To provide further tests of the completeness and accuracy of an optimized methane ignition model we simulated the shock-initiated combustion of the C2 hydrocarbons for a variety of conditions typical of experiments reported in the literature, determining the same diagnositics of reaction progress in the simulations as were used in the experimental studies. Overall the agreement is not nearly as good as was the case for studies on CH4 combustion. It would appear that the literature data base is internally inconsistent, and that some rather significant parts of the reaction mechanism are also still missing. © 1979 American Chemical Society.