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Details of Grant 

EPSRC Reference: GR/R14453/01
Title: The Automated Optimisation of Reaction Rate Parameters For Complex Hydrocarbon Chemical Kinetics Scheme
Principal Investigator: Pourkashanian, Professor M
Other Investigators:
Elliott, Dr L Wilson, Professor C Ingham, Professor DB
Researcher Co-Investigators:
Project Partners:
DSTL - JGS
Department: Fuel and Energy
Organisation: University of Leeds
Scheme: Standard Research (Pre-FEC)
Starts: 01 August 2001 Ends: 31 July 2004 Value (£): 150,086
EPSRC Research Topic Classifications:
Combustion
EPSRC Industrial Sector Classifications:
Aerospace, Defence and Marine Energy
Transport Systems and Vehicles
Related Grants:
Panel History:  
Summary on Grant Application Form
The aim of the optimisation process is to derive rate parameters such that the given species concentration, flame speed and ignition delay times at various conditions, are simultaneously achieved by searching the parameter space of the rate coefficients in the generalised Arrhenius form of the reaction mechanisms. The reaction rate data can be retrieved using an inversion technique whose minimisation process is based on the Darwinian principle of survival of the fittest, which has inspired a class of algorithms known as Genetic Algorithms.To facilitate further development, a novel method for automating the reduction of the number of reaction steps, to consider only the most sensitive reactions, is required which will produce a robust mechanism applicable to any combustion process. This proposed research will result in the ability to assess the combustion behaviour for fuels where the reaction rate coefficients are not known with any confidence and, subsequently, the accurate prediction of emission characteristics, stable species concentrations and flame characterisation. Such predictive capabilities are of paramount importance in a wide variety of industries as a design tool.
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Organisation Website: http://www.leeds.ac.uk