A chemical kinetics submechanism for small molecular weight hydrocarbons was modified by adjusting rate constants to produce better agreement with recent ethylene ignition delay time data compared with an earlier version of the mechanism, for temperatures from 1003 to 1401 K, at pressures between 1.1 and 24.9 atm, and for equivalence ratios from 0.3 to 2.0. The improved mechanism captures the pressure and equivalence ratio behavior seen in the data at these intermediate temperatures, such as the smaller-than-expected effect of equivalence ratio at the higher temperatures and an apparent lack of pressure dependence at fuel-lean conditions. By using detailed sensitivity analyses, the important reactions were identified, rectifying the model simulations in predicting the observed experimental behavior of the data in this study. In fact, when the model is used to extend the temperature range above 1400 K and below 1000 K, the same pressure dependence is actually seen for all equivalence ratios, just to a lesser extent at the test temperatures. Hence, the resulting hydrocarbon mechanism is much more robust as a result of this exercise. The initial deficiency and subsequent improvement of the model justify the new ignition delay time data from the companion paper to this study as well as the need for further study on ethylene kinetics.


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    Title :

    Oxidation of Ethylene—Air Mixtures at Elevated Pressures, Part 2: Chemical Kinetics



    Published in:

    Publication date :

    2014-03-27


    Size :

    13 pages




    Type of media :

    Article (Journal)


    Type of material :

    Electronic Resource


    Language :

    English





    Oxidation of Ethylene–Air Mixtures at Elevated Pressures, Part 1: Experimental Results

    Kopp, Madeleine M. / Donato, Nicole S. / Petersen, Eric L. et al. | AIAA | 2014



    Ignition and Oxidation of Ethylene-Air Mixtures at Elevated Pressures

    Kopp, Madeleine / Donato, Nicole / Petersen, Eric et al. | AIAA | 2010


    IGNITION AND OXIDATION OF ETHYLENE-AIR MIXTURES AT ELEVATED PRESSURES

    Kopp, M. / Donato, N. / Petersen, E. et al. | British Library Conference Proceedings | 2010