Reaction mechanism reduction and optimization using genetic algorithms

Industrial and Engineering Chemistry Research

Volumn 44, Issue 4, 2005, Pages 658-667

  Elliott, Lionel ^a   Ingham, Derek B ^a   Kyne, Adrian G ^a   Mera, Nicolae S ^a   Pourkashanian, Mohamed ^a   Wilson, Christopher W ^b  

^a UNIVERSITY OF LEEDS   (United Kingdom)

^b UNIVERSITY OF SHEFFIELD   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

ASSOCIATION REACTIONS; BINARY CODES; BIODIVERSITY; GENETIC ALGORITHMS; PARAMETER ESTIMATION; PROBLEM SOLVING; REDUCTION; STOICHIOMETRY;

BINARY ENCODED GENETIC ALGORITHMS; LOW-PRESSURE STOICHIOMETRY; PREMIXED FLAMES; STARTING POINT;

REACTION KINETICS;

AMMONIA; ARGON; OXYGEN;

GENETIC ALGORITHM;

ARTICLE; CHEMICAL REACTION KINETICS; COMBUSTION; FIRE; GENETIC ALGORITHM; HYPOBARISM; REACTION ANALYSIS; STOICHIOMETRY; VALIDATION PROCESS;

EID: 13544275552     PISSN: 08885885     EISSN: None     Source Type: Journal    
DOI: 10.1021/ie049409d     Document Type: Article

References (26)

1. Peters, N.; Williams, F. A. The asymptotic structure of stoichiometric Methane-Air Flames. Combust. Flame 1987, 86, 185.
2. Lam, S. L. Using CSP to understand complex chemical kinetics. Combust. Sci. Technol. 1993, 89, 375.
3. Mass, U.; Pope, S. B. Simplifying chemical kinetics: intrinsic low-dimensional manifolds in composition space. Combust. Flame 1992, 88, 239.
4. Schwer, D. A.; Lu, P.; Green, W. H. Adaptive chemistry approach to modelling complex kinetics in reacting flows. Combust. Flame 2003, 33, 451.
5. Frenklach, M.; Wang, H. Detailed reduction of reaction mechanisms for flame modelling. Combust. Flame 1991, 87, 365.
6. Vajda, S.; Valko, P.; Turanyi, T. Principal component analysis of kinetic models. Int. J. Chem. Kinet. 1985, 55, 81.
7. Turanyi, T.; Berces, T.; Vajda, S. Reaction rate analysis of complex kinetics systems. Int. J. Chem. Kinet. 1989, 21, 83.
8. Brown, N. J.; Li, M. L.; Koszykowski, Mechanism reduction via principal component analysis. Int. J. Chem. Kinet. 1997, 393.
9. Bhattacharjee, B.; Schwer, D. A.; Barton, P. I.; Green, W. H. Optimally reduced kinetic models: reaction elimination in large-scale kinetic mechanisms. Combust. Flame 2003, 135, 191.
10. Chen, J.-Y. A general procedure for constructing reduced reaction mechanisms with given independent reactions. Combust. Sci. Technol. 1988, 57, 89.
11. Chen J.-Y. Development of reduced mechanisms for numerical aspects of reduction in chemical kinetics. CERMICS-ENPC Cite Descartes, Champus sure Marne, France, 1997.
12. Elliott, L.; Ingham, D. B.; Kyne, A. G.; Mera, N. S.; Pourkashanian, M.; Wilson, C. W. A real coded genetic algorithm for the optimization of reaction rate parameters or chemical kinetic modelling in a perfectly stirred reactor. Genetic and Evolutionary Computation Conference; Late Breaking Papers; GECCO: New York, 2002; pp 138-144.
13. Elliott, L.; Ingham, D. B.; Kyne, A. G.; Mera, N. S.; Pourkashanian, M.; Wilson, C. W. The optimisation of reaction rate parameters for chemical kinetic modelling using genetic algorithms. GT-2002 30092 ASME TURBO EXPO, 2002.
14. Elliott, L.; Ingham, D. B.; Kyne, A. G.; Mera, N. S.; Pourkashanian, M.; Wilson, C. W. Incorporation of physical bounds on rate parameters for reaction mechanism optimisation using genetic algorithms. Combust. Sci. Technol. 2003, 175, 619.
15. Elliott, L.; Ingham, D. B.; Kyne, A. G.; Mera, N. S.; Pourkashanian, M.; Wilson, C. W. Multi-objective genetic algorithms optimisation for calculating the reaction rate coefficients for hydrogen combustion. Ind. Eng. Chem. Res. 2003, 42, 1215.
16. Elliott, L.; Ingham, D. B.; Kyne, A. G.; Mera, N. S.; Pourkashanian, M.; Wilson, C. W. Genetic algorithms for optimisation of chemical kinetics reaction mechanisms. Prog. Energy Combust. Sci. 2004, 30, 297.
17. Smith, G. P.; Golden, D. M.; Frenklach, M.; Moriarty, N. W.; Eiteneer, B.; Goldenberg, M.; Bowman, C. T.; Hanson, R. K.; Song, S.; Gardiner, W. C.; Lissianski, V. V.; Qin, Z. http://www.me.berkeley.edu/gri-mech.
18. Kee, R. J.; Grcar, J. F.; Smooke, M. D.; Miller, J. A. A Fortran program for modelling steady one-dimensional premixed flames. Sandia Report SAND85-8240; Sandia National Laboratories, Sandia, NM, 1985.
19. Kee, R. J.; Miller, J. A.; Jefferson, T. H. CHEMKIN: A general-purpose, problem-independent, transportable, FORTRAN chemical kinetics code package. Sandia Report SAND80-8003; Sandia National Laboratories, Sandia, NM, 1980.
20. Lutz, A. E.; Kee, R. J.; Miller, J. A. SENKIN: A FORTRAN program for predicting homogeneous gas-phase chemical kinetics with sensitivity analysis. Sandia Report SAND87-8248; Sandia National Laboratories, Sandia, NM, 1987.
21. Harris, S. D.; Elliott, L.; Ingham, D. B.; Pourkashanian, M.; Wilson, C. W. The optimisation of reaction rate parameters for chemical kinetic modelling of combustion using genetic algorithms. Comput. Methods Appl. Mech. Eng. 2000, 190, 1065.
22. Bernstein, J. S.; Fein, A.; Choi, J. B.; Cool, T. A.; Sausa, R. C.; Howard, S. L.; Locke, R. j.; Miziolek, A. W. Laser-based flame species' profile measurements-a comparison with flame model predictions. Combust. Flame 1993, 92, 85.
23. Michalewicz, Z. Genetic Algorithms/Data Structures/Evolution Programs, 3rd ed.; Springer, Berlin, 1996.
24. Tsuboi, T.; Wagner, H. G. Homogeneous thermal oxidation of methane in reflected shock waves. Fifteenth Symposium (International) on Combustion; The Combustion Institute, Pittsburgh, PA, 1974; p 883.
25. Taylor, S. C. Burning velocity and the influence of flame stretch. Ph.D. Thesis, University of Leeds, 1991.
26. Vagelopoulos, C. M.; Egolfopoulos, F. N.; Law, C. K. Further considerations on the determination of laminar flame speeds with the counterflow twin-flame technique. Twenty-fifth Symposium (International) on Combustion; The Combustion Institute, Pittsburgh, PA, 1994; p 1341.