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TECHNICAL PAPERS: Gas Turbines: Combustion and Fuels

A Novel Approach to the Optimization of Reaction Rate Parameters for Methane Combustion Using Multi-Objective Genetic Algorithms

[+] Author and Article Information
L. Elliott, D. B. Ingham

Department of Applied Mathematics, University of Leeds, Leeds LS2 9JT, UK

A. G. Kyne, N. S. Mera, M. Pourkashanian

Energy & Resources Research Institute, University of Leeds, Leeds LS2 9JT, UK  

C. W. Wilson

Department of Mechanical Engineering, University of Sheffield, Mappin Street, Sheffield S1 3JD, UK

J. Eng. Gas Turbines Power 126(3), 455-464 (Aug 11, 2004) (10 pages) doi:10.1115/1.1760531 History: Received October 01, 2002; Revised March 01, 2003; Online August 11, 2004
Copyright © 2004 by ASME
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References

Bowman, C. T., Hanson, R. K., Gardiner, W. C., Lissianski, V., Frenklach, M., Goldenberg, M., and Smith, G. P., 1997, “GRI/MECH 2.11. An Optimised Detailed Chemical Reaction Mechanism for Methane Combustion and NO Formation and Reburning,” GRI Technical Report 97/0020.
Dixon-Lewis,  G., Goldsworthy,  F. A., and Greenberg,  J. B., 1975, “Flame Structure and Flame Reaction Kinetics. IX: Calculation of Properties of Multi-Radical Premixed Flames,” Proc. R. Soc. London, Ser. A, 346, pp. 261–275.
Dagaut,  P., Reuillon,  M., Boetner,  J.-C., and Cathonnet,  M., 1994, “Kerosene Combustion at Pressures up to 40 atm: Experimental Study and Detailed Chemical Kinetic Modelling,” Proceedings of the Combustion Institute,25, pp. 919–926.
Rabitz,  H., Kramer,  M., and Dacol,  D., 1983, “Sensitivity Analysis in Chemical Kinetics,” Annu. Rev. Phys. Chem., 34, pp. 419–430.
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Bock, H. G., 1981, “Numerical Treatment of Inverse Problems in Chemical Reaction Kinetics,” Modelling of Chemical Reaction Systems, K. H. Ezbert, P. Deuflhard, and W. Jager, eds., Springer, Berlin.
Frenklach,  M., Wang,  H., and Rabinowitz,  J., 1992, “Optimization and Analysis of Large Chemical Kinetic Mechanisms Using the Solution Mapping Method—Combustion of Methane,” Prog. Energy Combust. Sci., 18, pp. 47–73.
Michalewicz, Z., 1996, Genetic Algorithms/Data Structures/Evolution Programs, 3rd Ed., Springer, Berlin.
Harris,  S. D., Elliott,  L., Ingham,  D. B., Pourkashanian,  M., and Wilson,  C. W., 2000, “The Optimisation of Reaction Rate Parameters for Chemical Kinetic Modelling of Combustion Using Genetic Algorithms,” Comput. Methods Appl. Mech. Eng., 190, pp. 1065–1090.
Elliott,  L., Ingham,  D. B., Kyne,  A. G., Mera,  N. S., Pourkashanian,  M., and Wilson,  C. W., 2002, “Incorporation of Physical Bounds on Rate Parameters for Reaction Mechanism Optimisation Using Genetic Algorithms,” Combust. Sci. Technol., in press.
Elliott, L., Ingham, D. B., Kyne, A. G., Mera, N. S., Pourkashanian, M., and Wilson, C. W., 2002, “The Optimisation of Reaction Rate Parameters for Chemical Kinetic Modelling Using Genetic Algorithms,” ASME Paper No. GT-2002-30092.
Elliott,  L., Ingham,  D. B., Kyne,  A. G., Mera,  N. S., Pourkashanian,  M., and Wilson,  C. W., 2002, “Multi-Objective Genetic Algorithms Optimization for Calculating the Reaction Rate Coefficients for Hydrogen Combustion,” Ind. Eng. Chem. Res., in press.
Glarborg, P., Kee, R. J., Grcar, J. F., and Miller, J. A., 1988, “PSR: A FORTRAN Program for Modelling Well-Stirred Reactors,” Sandia National Laboratories Report No. SAND86-8209.
Kee, R. J., Grcar, J. F., Smooke, M. D., and Miller, J. A., 1985, “A Fortran Program for Modelling Steady One-Dimensional Premixed Flames,” Sandia Report No. SAND85-8240.
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Figures

Grahic Jump Location
The reaction rate k for the reaction O+H2⇔H+OH given by the inversion procedures employed in various GA formulations in comparison with the original reaction rate and the NIST constraints imposed on the reaction rate
Grahic Jump Location
The mole fractions of O2 for various temperatures, as calculated by PSR using the reaction mechanisms generated by the inverse GA formulations considered
Grahic Jump Location
The mole fractions of CO2 for various temperatures, as calculated by PSR using the reaction mechanisms generated by the inverse GA formulations considered
Grahic Jump Location
The profiles of the mole fractions above the burner, for O2 as calculated by PREMIX using various reaction mechanisms
Grahic Jump Location
The profiles of the mole fractions above the burner, for CO2, as calculated by PREMIX using various reaction mechanisms
Grahic Jump Location
The profiles of the mole fractions above the burner, for (a) O2 and (b) CO2, as calculated by PREMIX at an air/fuel ratio Φ=2.5 using various reaction mechanisms
Grahic Jump Location
Mole fraction concentration profiles of (a) CH3, (b) CO, (c) O, (d) OH, (e) H, and (f) HCO as a function of distance from burner surface for a premixed, stoichiometric, 12.5% methane/25% oxygen/62.5% argon flame at 20 Torr. ▪, experimental data of Bernstein et al. 18. (g) Flame velocity as a function of equivalence ratio for a methane/air mixture at 1 atm and Tu=298 K. •, experimental data of Taylor 20; ▪, experimental data of Vagelopoulos et al. 19. (h) Ignition delay times in a 0.2% methane/2% oxygen/97.8% argon mixture. •, experimental data of Tsuboi and Wagner 21 for pressures=3–4 atm, T=16,500–2050 K; ▪, experimental data of Tsuboi and Wagner 21 for pressure=21–29 atm, T=1400–2000 K.

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