This work is an extension to a previously reported work on chemical kinetic mechanism reduction scheme for large-scale mechanisms. Here, Perfectly Stirred Reactor (PSR) was added as a criterion of data source for mechanism reduction instead of using only auto-ignition condition. As a result, a reduced n-hexadecane mechanism with 79 species for diesel fuel surrogate was successfully derived from the detailed mechanism. Following that, the reduced n-hexadecane mechanism was validated under auto-ignition and PSR conditions using zero-dimensional (0-D) closed homogeneous batch reactor in CHEMKIN-PRO software. Agreement was achieved between the reduced and detailed mechanisms in ignition timing predictions and the reduced n-hexadecane mechanism was able to reproduce species concentration profiles with a maximum error of 40%. Accordingly, two-dimensional (2-D) Computational Fluid Dynamic (CFD) simulations were performed to study the spray combustion phenomena within a constant volume bomb. Both non-reacting and reacting conditions were applied in this study. Liquid and vapor penetration lengths were replicated for non-reacting diesel spray. For reacting diesel spray, both ignition delay and lift-off length were simulated. The simulation results were then compared to the experimental data of Sandia National Laboratories and No. 2 Diesel Fuel (D2) was designated as the reference fuel. Both liquid and vapor penetrations for non-reacting condition were well-matched, while ignition delay was advanced by 17.95% with 7.18% longer lift-off length for the reacting condition.


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    Title :

    Development and Validation of Chemical Kinetic Mechanism Reduction Scheme for Large-Scale Mechanisms


    Additional title:

    Sae Int. J. Fuels Lubr
    Sae International Journal of Fuels and Lubricants


    Contributors:

    Conference:

    SAE 2014 International Powertrain, Fuels & Lubricants Meeting ; 2014



    Publication date :

    2014-10-13


    Size :

    10 pages




    Type of media :

    Conference paper


    Type of material :

    Print


    Language :

    English




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