A Skeletal Kinetic Model For Biodiesel Fuels Surrogate Blend Under DieselEngine Condition

  • Chit Wityi Oo Gokongwei College of Engineering, Chemical Engineering Department, De La Salle University, 2401 Taft Avenue, 0922 Manila, Philippines
  • Masahiro Shioji Department of Energy Conversion Sciences, Kyoto University, Kyoto, Japan
  • Hiroshi Kawanabe Department of Energy Conversion Sciences, Kyoto University, Kyoto, Japan
  • Susan A Roces Gokongwei College of Engineering, Chemical Engineering Department, De La Salle University, 2401 Taft Avenue, 0922 Manila, Philippines
  • Nathaniel P Dugos Gokongwei College of Engineering, Chemical Engineering Department, De La Salle University, 2401 Taft Avenue, 0922 Manila, Philippines
Keywords: kinetic mechanism, surrogate fuel, ignition delay, methyl decanoate, n-heptane

Abstract

The biodiesel surrogate fuels are realistic kinetic tools to study the combustion of
actual biodiesel fuels in diesel engines. The knowledge of fuel chemistry aids in the
development of combustion modeling. In order to numerically simulate the diesel
combustion, it is necessary to construct a compact reaction model for describing the
chemical reaction. This study developed a skeletal kinetic model of methyl decanoate (MD)
and n-heptane as a biodiesel surrogate blend for the chemical combustion reactions. The
skeletal kinetic model is simply composed of 45 chemical species and 74 reactions based on
the full kinetic models which have been developed by Lawrance Livermore National
Laboratory (LLNL) and Knowledge-basing Utilities for Complex Reaction Systems (KUCRS)
under the diesel like engine conditions. The model in this study is generated by using
CHEMKIN and then it is used to produce the ignition delay data and the related chemical
species. The model predicted good reasonable agreement for the ignition delays and most
of the reaction products at various conditions. The chemical species are well reproduced by
this skeletal kinetic model while the good temperature dependency is found under constant
pressure conditions 2MPa and 4MPa. The ignition delay time of present model is slightly
shorter than the full kinetic model near negative temperature coefficient (NTC) regime. This
skeletal model can provide the chemical kinetics to apply in the simulation codes for dieselengine combustion.

References

1. Curran, H. J., Gaffuri, P., Pitz, W. J., and Westbrook, C. K. (1998), “A comprehensive modeling study of n-heptane oxidation,” Combustion and Flame, vol. 114, pp. 149-177.
2. Curran, H. J., Gaffuri, P., Pitz, W. J. and Westbrook, C. K. (2002), “A comprehensive modeling study of iso-octane oxidation,” Combustion and Flame, vol.129, pp.253-280.
3. Dagaut, P., Gail, S., and Sahasrabudhe,M.(2007), “Rapeseed oil methyl ester oxidation over extended ranges of pressure, temperature and equivalence ratio; experimental and modelling kinetic study,” Proc Combust Inst, vol. 31, pp. 2955-2961.
4. Fisher, E. M., Pitz, W. J., Curran H. J., and Westbrook, C. K. (2000), “Detailed chemical kineticmechanisms for combustion ofoxygenated fuels,” Proceedings ofthe Combustion Instittute, vol. 28,pp. 1579-1596.
5. Herbinet, O., Pitz, W. J., andWestbrook, C. K. (2008), “Detailedchemical kinetic oxidationmechanism for a biodieselsurrogate,” Journal of Combustionand Flame, vol. 154, pp. 507-528.
6. Herbinet, O., Pitz, W. J., andWestbrook, C. K. (2010), “Detailedchemical kinetic mechanism foroxidation of biodiesel fuels blendsurrogate,” Combustion and Flame,vol. 157: pp. 893-908.
7. Jason, Y. W., Kuang, C. L., and Violi,A. (2011), “Biodiesel combustion:Advances in chemical kineticmodeling,” Progress in Energy andCombustion Science, vol. 37, pp. 1-14.
8. Kawanabe, H., and Ishiyama, T.(2012), “A Study on a ReducedKinetic Model for n-Cetane and Heptamethylnonane Based on a PRF Reduced Kinetic Model,” SAE Technical Paper 2012-01-1576, 2012, doi:10.4271/2012-01-1576.
9. Naik, C. V., and Westbrook, C. K. (2009, April 4), “Kinetic modeling of combustion characteristics of real biodiesel fuels,” U.S. National Combustion Meeting, Lawrence Livermore National Laboratory.
10. Patel, A., Kong, S., and Reitz, R. (2004), “Development and Validation of a Reduced Reaction Mechanism for HCCI Engine Simulations,” SAE Technical Paper 2004-01-0558, 2004, doi:10.4271/2004-01-0558.
11. Tsurushima, T. (2009), “A new skeletal PRF kinetic model for the HCCI combustion,” Proc. of the Combustion Institute, vol.32, pp.2835-2841.
12. Westbrook, C. K., Pitz, W. J., Herbinet, O., Curran, H. J., and Silke, E. J. (2009), “A Detailed Chemical Kinetic Reaction Mechanism for n-Alkane Hydrocarbons from n-Octane to n- Hexadecane,” Combustion and Flame, vol. 156, pp.181-199.
13. https://www.erc.wisc.edu/chemicalr eaction
Published
2015-06-30
How to Cite
Oo, C. W., Shioji, M., Kawanabe, H., Roces, S. A., & Dugos, N. P. (2015). A Skeletal Kinetic Model For Biodiesel Fuels Surrogate Blend Under DieselEngine Condition. ASEAN Journal of Chemical Engineering, 15(1), 52-61. Retrieved from https://journal.ugm.ac.id/v3/AJChE/article/view/8869
Issue
Vol 15 No 1 (2015)
Section
Articles

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