The Meaning of Activation Energy and Reaction Order in Autoaccelerating Systems PUBLIC ACCESS

[+] Author Affiliations
J. S. Ervin, S. P. Heneghan

University of Dayton Research Institute, Dayton, OH

Paper No. 97-GT-224, pp. V002T06A030; 8 pages
  • ASME 1997 International Gas Turbine and Aeroengine Congress and Exhibition
  • Volume 2: Coal, Biomass and Alternative Fuels; Combustion and Fuels; Oil and Gas Applications; Cycle Innovations
  • Orlando, Florida, USA, June 2–5, 1997
  • Conference Sponsors: International Gas Turbine Institute
  • ISBN: 978-0-7918-7869-9
  • Copyright © 1997 by ASME


Global reaction mechanisms and rate constants are commonly used in computational fluid dynamics models which incorporate chemical reactions to study aviation fuel thermal and oxidative thermal stability. Often these models are calibrated using one set of conditions, such as flow rate and temperature. New conditions are then calculated by extrapolation using the global expressions. A close inspection of the origin of global oxidation rate constants reveals that in systems that undergo autocatalysis or auto inhibition, a simple over-all global activation energy and reaction order are not good descriptors of the reaction process. Furthermore, pseudo-detailed chemical kinetic modeling of a fuel which experiences autocatalysis shows that the observed reaction order for oxygen consumption varies with initial oxygen concentration, extent of reaction, and temperature. Thus, a simple global rate expression used to describe oxygen consumption in an autoaccelerating system is insufficient to allow extrapolation to different temperature or time regimes.

Copyright © 1997 by ASME
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