Development and Validation of Chemical Kinetic Mechanism Reduction Scheme for Large-Scale Mechanisms 2014-01-2576
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.
Citation: Poon, H., Ng, H., Gan, S., Pang, K. et al., "Development and Validation of Chemical Kinetic Mechanism Reduction Scheme for Large-Scale Mechanisms," SAE Int. J. Fuels Lubr. 7(3):653-662, 2014, https://doi.org/10.4271/2014-01-2576. Download Citation
Author(s):
Hiew Mun Poon, Hoon Kiat Ng, Suyin Gan, Kar Mun Pang, Jesper Schramm
Affiliated:
University of Nottingham Malaysia Campus, Technical University of Denmark
Pages: 10
Event:
SAE 2014 International Powertrain, Fuels & Lubricants Meeting
ISSN:
1946-3952
e-ISSN:
1946-3960
Also in:
SAE International Journal of Fuels and Lubricants-V123-4EJ, SAE International Journal of Fuels and Lubricants-V123-4
Related Topics:
Computational fluid dynamics
Ignition timing
Diesel fuels
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