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Details of Grant 

EPSRC Reference: GR/K96632/01
Title: DATA CENTRE FOR COMBUSTION KINETICS
Principal Investigator: Pilling, Professor M
Other Investigators:
Researcher Co-Investigators:
Project Partners:
Department: Sch of Chemistry
Organisation: University of Leeds
Scheme: Standard Research (Pre-FEC)
Starts: 01 April 1996 Ends: 31 March 1999 Value (£): 152,421
EPSRC Research Topic Classifications:
Combustion
EPSRC Industrial Sector Classifications:
Aerospace, Defence and Marine Information Technologies
Related Grants:
Panel History:  
Summary on Grant Application Form
The Leeds Kinetic Data Centre is an important resource for the evaluation and provision of chemical Kinetic data for modelling combustion processes. The proposal seeks funds to continue the centre through the acquisition and evaluation of data. The evaluation will be conducted by an international panel of experts, co-ordinated by the Centre. Data will be disseminated in hard copy and diskette versions and provision on the World Wide Web of the full bibliographic database will be investigated. In addition the following computer modelling sub projects will be undertaken: (I) calculation of entropies of free radicals using detailed calculations of the free and hundred rotor contributions, (ii) calculation of the rates of isomerisation and of multichannel reactions using the master equation, constrained by experimental data, (iii) calculation of third body efficiencies for N2, O2 and H20 using new theoretical models; modelling of the effects of super collisions on combustion kinetics, (iv) calculation of radical recombination and alkane dissociation rates using flexible transition state theory.
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Summary
Date Materialised
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Further Information:  
Organisation Website: http://www.leeds.ac.uk