Skip to main content

Prediction of the behaviour of combustion systems: modelling

  • Chapter
Chemistry of Hydrocarbon Combustion
  • 158 Accesses

Abstract

Complex mathematical models are being applied increasingly to combustion and pyrolysis systems [1, 2]. Such models may, for example, be used to interpret experimental measurements, to extrapolate our knowledge of systems to experimentally inaccessible conditions or to predict the behaviour of untried systems. Models which have been devised vary in complexity and sophistication and, in order to simulate realistically a practical combustion process, they may contain many sub-models to represent the fundamental chemical and physical processes which occur. For example, even when sub-models representing the fluid dynamics and heat and mass transfer of a combustion system have been taken into account, an appropriate sub-model describing the chemical kinetics must be incorporated. Final selection of a model must fall within the constraints imposed by ultimate use, time allowed for development and computation, knowledge of the mechanism and the quality of the data available [1, 3].

This is a preview of subscription content, log in via an institution to check access.

Access this chapter

Chapter
USD 29.95
Price excludes VAT (USA)
  • Available as PDF
  • Read on any device
  • Instant download
  • Own it forever
eBook
USD 39.99
Price excludes VAT (USA)
  • Available as EPUB and PDF
  • Read on any device
  • Instant download
  • Own it forever
Softcover Book
USD 54.99
Price excludes VAT (USA)
  • Compact, lightweight edition
  • Dispatched in 3 to 5 business days
  • Free shipping worldwide - see info

Tax calculation will be finalised at checkout

Purchases are for personal use only

Institutional subscriptions

Preview

Unable to display preview. Download preview PDF.

Unable to display preview. Download preview PDF.

References

  1. Oran, E. S. and Boris, J. P. (1981) Prog. Energy Combust. Sci., 7, 1

    Article  Google Scholar 

  2. Oran, E. S., Boris, J. P. and Fritts, M. J. (1980) in Laser Probes for Combustion Chemistry (ACS Symp. Ser., No. 134) (ed. D. R. Crosley) American Chemical Society, Washington DC, p. 331.

    Google Scholar 

  3. Ross, L. L. and Shu, W. R. (1979) in Thermal Hydrocarbon Chemistry (ACS Adv. Chem. Ser., No. 183) (eds A. G. Oblad, H. G. Davis and R. T. Eddinger) American Chemical Society, Washington DC, p. 129

    Google Scholar 

  4. Hjerlager, B. H. and Magnussen, B. F. (1982) Arch. Combust. 2, 25

    Google Scholar 

  5. Warnatz, J. (1983) Ber. Bunsenges. Phys. Chem., 87, 1008

    Google Scholar 

  6. Gardiner, W. C. Jr., Walker, B. F. and Wakefield, C. B. (1981) in Shock Waves in Chemistry(ed. A. Lifshitz) Marcel Dekker, New York, p. 319

    Google Scholar 

  7. Margolis, S. B. (1981) in Combustion in Reactive Systems, Prog, in Astronautics and Aeronautics, Vol. 76 (eds J. R. Bowen, N. Manson, A. K. Oppenheim and R. I. Soloukhin) American Institute of Aeronautics and Astronautics, New York, p. 522

    Google Scholar 

  8. Oran, E. S. and Boris, J. P. (1981) in Combustion in Reactive Systems, Prog, in Astronautics and Aeronautics, Vol. 76 (eds J. R. Bowen, N. Manson, A. K. Oppenheim and R. I. Soloukhin) American Institute of Aeronautics and Astronautics, New York, p. 154

    Google Scholar 

  9. Creighton, J. R. (1980) in Laser Probes for Combustion Chemistry (ACS Symp. Ser., No. 134) (ed. D. R. Crosley) American Chemical Society, Washington DC, p. 357

    Google Scholar 

  10. Dechaux, J. C. (1981) Oxid. Commun., 2, 95

    Google Scholar 

  11. Tsatsaronis, G. (1978) Combust. Flame, 33, 217

    Article  Google Scholar 

  12. Duterque, J., Borghi, R. and Tichinsky, H. (1981) Combust. Sci. Technol, 26, 1

    Article  Google Scholar 

  13. Hautman, D. J., Dryer, F. L., Schug, K. P. and Glassman, I. (1981) Combust. Sci. Technol 25, 219

    Google Scholar 

  14. Westbrook, C. K. and Dryer, F. L. (1981) Combust. Sci. Technol., 27, 31

    Article  Google Scholar 

  15. Walker, R. W. (1975) in Reaction Kinetics, Vol. 1, Spec. Period. Rep., Chemical Society, London, p. 161

    Google Scholar 

  16. Walker, R. W. (1977) in Gas Kinetics and Energy Transfer, Vol. 2, Spec. Period. Rep., Chemical Society, London, p. 296

    Google Scholar 

  17. Gardiner, W. C. and Olson, D. B. (1980) Annu. Rev. Phys. Chem., 31, 377

    Article  Google Scholar 

  18. Benson, S. W. (1982) Oxid. Commun., 2, 153

    Google Scholar 

  19. Hoyermann, K. and Wagner, H. Gg. (1982) Oxid. Commun., 2, 259

    Google Scholar 

  20. Szabo, Z. G. (1959) 7th Symp. (Int.) on Combustion, Butterworths, London, p. 118

    Google Scholar 

  21. Voevodskii, V. V. (1959) Discussion of ref. 10

    Google Scholar 

  22. Nalbandyan, A. B., Oganesyan, E. A., Grigaryan, R. R., Garibyan, T. A. and Vardanyan, I. A. (1977) Combust. Flame, 30, 177

    Article  Google Scholar 

  23. Azatyan, V. V., Kislyuk, M. U., Tret’yakov, 1.1, and Shavard, A. A. (1980) Kinet. Catal., 21, 422

    Google Scholar 

  24. Glass, G. P. and Chaturvedi, B. K. (1982) Int. J. Chem. Kinet., 14, 153

    Article  Google Scholar 

  25. Benson, S. W. (1965) J. Am. Chem. Soc., 87, 972

    Article  Google Scholar 

  26. O’Neal, H. E. and Benson, S. W. (1969) Int. J. Chem. Kinet., 1, 221

    Article  Google Scholar 

  27. Benson, S. W. and Shaw, R. (1970) in Organic Peroxides, (ed. D. Swern), Vol. I, Wiley, New York, p. 105

    Google Scholar 

  28. Baldwin, R. R. and Walker, R. W. (1981) 18th Symp. (Int.) on Combustion, Combustion Institute, Pittsburgh, p. 819

    Google Scholar 

  29. Baldwin, R. R., Pickering, I. A. and Walker, R. W. (1980) J. Chem. Soc., Faraday Trans. I, 76, 2374

    Article  Google Scholar 

  30. Westbrook, C. K. and Dryer, F. L. (1979) Combust. Sci. Technol., 20, 125

    Google Scholar 

  31. Westbrook, C. K. and Dryer, F. L. (1981) 18th Symp. (Int.) on Combustion, Combustion Institute, Pittsburgh, p. 749

    Google Scholar 

  32. Westley, F. (1980) Table of Recommended Rate Constants for Chemical Reactions Occurring in Combustion (NBS Ref. Data Ser., 67), National Bureau of Standards, Washington DC, p. 1

    Google Scholar 

  33. Cohen, N. and Westberg, K. R. (1983) J. Phys. Chem. Ref. Data, 12, 531

    Article  Google Scholar 

  34. Allara, D. L. and Shaw, R. (1980) J. Phys. Chem. Ref. Data, 9, 523

    Article  Google Scholar 

  35. Baulch, D. L., Drysdale, D. D., Home, D. G. and Lloyd, A. C. (1973) Evaluated Kinetic Data for High Temperature Reactions, Vols 1 and 2, Butterworths, London

    Google Scholar 

  36. Baulch, D. L., Drysdale, D. D., Duxbury, J. and Grant, S. J. (1976) Evaluated Kinetic Data for High Temperature Reactions, Vol. 3, Butterworths, London

    Google Scholar 

  37. Baulch, D. L., Craven, R. J. B., Din, M., Drysdale, D. D., Grant, S., Richardson, D. J., Walker, A. and Watling, G. (1983) J. Chem. Soc., Faraday Trans. I, 79, 689

    Article  Google Scholar 

  38. Baldwin, R. R. and Walker, R. W. (1979) J. Chem. Soc., Faraday Trans. I, 75, 140

    Article  Google Scholar 

  39. Kee, R. J. and Dwyer, H. A. (1981) in Combustion in Reactive Systems, Prog, in Astronautics and Aeronautics, Vol. 76 (eds J. R. Bowen, N. Manson, A. K. Oppenheim, and R. I. Soloukhin) American Institute of Aeronautics and Astronautics, New York, p. 485

    Google Scholar 

  40. See (1977) J. Phys. Chem., 81, 2309

    Google Scholar 

  41. Jones, A. (1975) in Reaction Kinetics, Vol. 1 (Spec. Period. Rep), Chemical Society, London, p. 291

    Google Scholar 

  42. Atherton, R. W., Schainker, R. B. and Ducat, E. R. (1975) A.I.Ch.E. J., 21, 441

    Google Scholar 

  43. Cukier, R. I., Levine, H. B. and Shuler, K. E. (1978) J. Comput. Phys., 26, 1

    Article  Google Scholar 

  44. Hwang, J.-T., Dougherty, E. P. and Rabitz, J. (1978) Chem. Phys., 69, 5180

    Google Scholar 

  45. Dougherty, E. P. and Rabitz, H. (1979) Int. J. Chem. Kinet., 11, 1237

    Article  Google Scholar 

  46. Dougherty, E. P., Hwang, J.-T. and Rabitz, H. (1979) J. Chem. Phys., 71, 1794

    Article  Google Scholar 

  47. Rabitz, H., Kramer, M. and Dacol, D. (1983) Ann. Rev. Phys. Chem., 34, 419

    Article  Google Scholar 

  48. Dougherty, E. P. and Rabitz, H. (1980) J. Chem. Phys., 72, 6571

    Article  Google Scholar 

  49. Edelson, D. and Allara, D. L. (1980) Int. J. Chem. Kinet., 12, 605

    Article  Google Scholar 

  50. Dean, A. M., Johnson, R. L. and Steiner, D. (1980) Combust. Flame, 37, 41

    Article  Google Scholar 

  51. Olson, D. B. and Gardiner, W. C. Jr (1978) Combust. Flame, 32, 151

    Article  Google Scholar 

  52. Olson, D. B., Tanzawa, T. and Gardiner, W. C. Jr (1979) Int. J. Chem. Kinet., 11, 23

    Article  Google Scholar 

  53. Westbrook, C. K., Dryer, F. L. and Schug, K. P. (1982) 19th Symp. (Int.) on Combustion, Combustion Institute, Pittsburgh, p. 153

    Google Scholar 

  54. Miller, J. A., Mitchell, R. E., Smooke, M. D. and Kee, R. J. (1982) 19th Symp. (Int.) on Combustion, Combustion Institute, Pittsburgh, p. 181

    Google Scholar 

  55. Sundaram, K. M. and Froment, G. F. (1978) Ind. Eng. Chem. Fundam., 17, 174

    Article  Google Scholar 

  56. Shiau, C.-Y. and Albright, L. F. (1982) Ind. Eng. Chem., Process Des. Dev., 21, 101

    Article  Google Scholar 

  57. Caprio, V., Insola, A. and Lignola, P. G. (1981) Combust. Flame, 43, 23

    Article  Google Scholar 

  58. Gray, P., Griffiths, J. F., Hasko, S. M. and Lignola, P. G. (1981) Combust. Flame, 43, 175

    Article  Google Scholar 

  59. Gray, P., Griffiths, J. F., Hasko, S. M. and Lignola, P. G. (1981) Proc. R. Soc. Lond. A, 374, 313

    Article  Google Scholar 

  60. Semenov, N. N. (1928) Z. Phys. Chem., 48, 571

    Google Scholar 

  61. Semenov, N. N. (1958) Some Problems in Chemical Kinetics and Reactivity, Vol. 2, Pergamon, London

    Google Scholar 

  62. Frank-Kamenetskii, D. A. (1968) Diffusion and Heat Exchange in Chemical Kinetics, 2nd edn, Plenum Press, New York

    Google Scholar 

  63. Gray, P. and Sherrington, M. E. (1977) in Gas Kinetics and Energy Transfer, Vol. 2 (Spec. Period. Rep.), Chemical Society, London, p. 331

    Google Scholar 

  64. Gray, B. F. and Yang, C. H. (1965) Phys. Chem., 69, 2747

    Article  Google Scholar 

  65. Gray, B. F. (1975) in Reaction Kinetics, Vol. 1 (Spec. Period. Rep.), Chemical Society, London, p. 309

    Google Scholar 

  66. Yang, C. H. and Gray, B. F. (1969) J. Phys. Chem., 73, 3395

    Article  Google Scholar 

  67. Yang, C. H. (1969) J. Phys. Chem., 73, 3407

    Article  Google Scholar 

  68. Griffiths, J. F., Gray, B. F. and Gray, P. (1971) 13th Symp. (Int.) on Combustion, Combustion Institute, Pittsburgh, p. 239

    Google Scholar 

  69. Griffiths, J. F., Felton, P. G. and Gray, P. (1973) 14th Symp. (Int.) on Combustion, Combustion Institute, Pittsburgh, p. 453

    Google Scholar 

  70. Halstead, M. P., Prothero, A. and Quinn, C. P. (1971) Proc. R. Soc. Lond. A, 322, 377

    Article  Google Scholar 

  71. Halstead, M. P., Prothero, A. and Quinn, C. P. (1975) Proc. R. Soc. Lond. A, 346, 515

    Article  Google Scholar 

  72. Baronnet, F., Halstead, M. P., Prothero, A. and Quinn, C. P. (1972) C.R. Hebdo. Acad. Sci. Paris. C, 275, 17

    Google Scholar 

  73. Baronnet, F., Halstead, M. P., Prothero, A. and Quinn, C. P. (1973) Combustion Institute European Symposium(ed. F. J. Weinberg), Academic Press, London, p. 76

    Google Scholar 

  74. Griffiths, J. F., Firth, A. and Gray, P. (1975) 15th Symp. (Int.) on Combustion, Combustion Institute, sPittsburgh, p. 1493

    Google Scholar 

Download references

Author information

Authors and Affiliations

Authors

Rights and permissions

Reprints and permissions

Copyright information

© 1985 D. J. Hucknall

About this chapter

Cite this chapter

Hucknall, D.J. (1985). Prediction of the behaviour of combustion systems: modelling. In: Chemistry of Hydrocarbon Combustion. Springer, Dordrecht. https://doi.org/10.1007/978-94-009-4852-5_7

Download citation

  • DOI: https://doi.org/10.1007/978-94-009-4852-5_7

  • Publisher Name: Springer, Dordrecht

  • Print ISBN: 978-94-010-8649-3

  • Online ISBN: 978-94-009-4852-5

  • eBook Packages: Springer Book Archive

Publish with us

Policies and ethics