A New Method of Chemical Kinetic Model Reduction for CFD Applications (original) (raw)

Abstract

sparkles

AI

A new method for kinetic model reduction is proposed, involving skeletal model reduction through the Directed Relation Graph method and optimization of rate constants via the Solution Mapping Method. Demonstrated using a hydrogen-oxygen model, the method effectively produces reduced models that approximate temperature profiles from the full model across various conditions, though limitations exist in replicating laminar flame speeds and ignition or extinction times in perfectly-stirred reactors.

Loading...

Loading Preview

Sorry, preview is currently unavailable. You can download the paper by clicking the button above.

References (20)

  1. C. K. Law, C. J. Sung, H. Wang, and T. F. Lu, "Development of Comprehensive Detailed and Reduced Reaction Mechanisms for Combustion Modeling," AIAA Journal, Vol. 41, p. 1629 (2003).
  2. K. Radhakrishnan, "Decoupled Direct Method for Sensitivity Analysis in Combustion Kinetics," NASA Contractor Report 179636, National Aeronautics and Space Administration, Lewis Research Center, Cleveland, OH, June 1987.
  3. R. C. Rogers and W. Chinitz, "Using a Global Hydrogen-Air Combustion Model in Turbulent Reaching Flow Calculations," AIAA Journal, Vol. 21, pp. 586-592 (1983).
  4. M. Mishra, L. Peiperl, Y. Reuven, H. Rabitz, R. A. Yetter, and M. D. Smooke, "Use of Green's Functions for the Analysis of Dynamic Couplings: Some Examples from Chemical Kinetics and Quantum Dynamics," Journal of Physical Chemistry, Vol. 95, pp. 3109-3118 (1991).
  5. H. Wang and M. Frenklach, "Detailed Reduction of Reaction Mechanisms for Flame Modeling," Combustion and Flame, Vol. 87, pp. 365-370 (1991).
  6. S. H. Lam and D. A. Goussis, "Understanding Complex Chemical Kinetics with Computational Singular Perturbation," Proceedings of the Combustion Institute, Vol. 22, pp. 931-941 (1988).
  7. T. Lu, Y. Ju, and C. K. Law, "Complex CSP for Chemistry Reduction and Analysis," Combustion and Flame, Vol. 126, pp. 1445-1455 (2001).
  8. K. V. Meredith and D. L. Black, "Automated Global Mechanism Generation for use in CFD Simulations," AIAA 2006-1168, Presented at the 44 th AIAA Aerospace Sciences Meeting and Exhibit, 2006.
  9. U. Maas and S. B. Pope, "Simplifying Chemical Kinetics: Intrinsic Low-Dimensional Manifolds in Composition Space," Combustion and Flame, Vol. 88, pp. 239-264 (1992).
  10. R. J. Kee and J. A. Miller, "A Structured Approach to the Computational Modeling of Chemical Kinetics and Molecular Transport in Flowing Systems," Sandia Report SAND86-8841, Sandia National Laboratories, Albuquerque, NM, July 1986.
  11. A. E. Lutz, R. J. Kee, and J. A. Miller, "SENKIN: A Fortran Program for Predicting Homogeneous Gas Phase Chemical Kinetics With Sensitivity Analysis," Sandia Report SAND87-8248, Sandia National Laboratories, Albuquerque, NM, February 1988.
  12. T. F. Lu and C. K. Law, "Linear time reduction of large kinetic mechanisms with directed relation graph: n-heptane and iso- octane," Combustion and Flame, Vol. 144, pp. 24-36 (2006).
  13. T. Lu and C. K. Law, "A Directed Relation Graph Method for Mechanism Reduction," Proceedings of the Combustion Institute, Vol. 30, pp. 1333-1341 (2005).
  14. M. Frenklach, H. Wang, and M. J. Rabinowitz, "Optimization and Analysis of Large Chemical Kinetics Mechanisms Using the Solution Mapping Method -Combustion of Methane," Progress in Energy and Combustion Science, Vol. 18, pp. 47-73 (1992).
  15. R. C. Rogers and C. J. Schexnayder, Jr., "Chemical Kinetic Analysis of Hydrogen-Air Ignition and Reaction Times," NASA TP-1856 (1981).
  16. R. A. Yetter, F. L. Dryer, and H. Rabitz, "Some Interpretive Aspects for Elementary Sensitivity Gradients in Combustion Kinetics Modeling," Combustion and Flame, Vol. 59, pp. 107-133 (1985).
  17. P. Glarborg, R. J. Kee, J. F. Grcar, and J. A. Miller, "PSR: A FORTRAN Program for Modeling Well-Stirred Reactors," Sandia Report SAND86-8209, Sandia National Laboratories, Albuquerque, NM, February 1986.
  18. D. L. Davis and R. D. W. Bowersox, "Stirred Reactor Analysis of Cavity Flameholders for Scramjets," AIAA 97-3274, Presented at the 33 rd AIAA/ASME/SAE/ASEE Joint Propulsion Conference, 1997.
  19. T. Mitani and M. Izumikawa, "Criteria for Flame Holding in H2-Fueled Scramjet Engines," Proceedings of the Combustion Institute, Vol. 28, pp. 689-695 (2000).
  20. R. J. Kee, J. F. Grcar, M. D. Smooke, and J. A. Miller, "A FORTRAN Program for Modeling Steady Lamkinar One- Dimensional Premixed Flames," Sandia Report SAND85-8240, Sandia National Laboratories, Albuquerque, NM, December 1985.