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Kinetic evaluation for combustion using experimental and numerical expertise (KEENEX)

Obiettivo

The objective is to obtain fundamental experimental data on elementary reactions involved in combustion processes particularly those reactions affecting efficiency and pollutant formation. The data produced will serve as a key input for the ignition model, being developed under contract JOUE-CT90-0035 using an expert system approach.
A number of specific applications and theoretical studies were undertaken. Numerical models have been formulated to describe the combustion of a number of hydrocarbons and the formation and abatement of nitrogen oxides. The models have made use of the recommendations made by the CEC Chemical Kinetics Data Evaluation group. Sensitivity analysis has been widely utilised to identify the key reactions in these systems. For the combustion of hydrocarbons, a number of simplifications can be introduced to reduce the number of species and reactions involved if the model is to be used solely to describe combustion features such as ignition delay and flame velocity. However, detailed chemical schemes are still required if models are used to describe the formation of pollutants such as the nitrogen oxides.
The kinetics and mechanisms of elementary chemical reactions in combustion are vital components for the understanding of efficiency and of pollution free energy generation. A combined project has therefore been set up (KEENEX) where KEENEX-COMMODEX (contract JOUE-CT90-0035) will develop an expert system for kinetics in combustion processes and KEENEX-CHEMCOM (JOUE-CT90-0036) will carry out extensive experimental work in this field which will serve as an input for the development of the expert system. The results of this experimental work will be very important for research and development of improved combustion in engines, ovens, kilns, furnaces, turbines, etc. R&D on the following topics will be carried out: The area of NOx chemistry will include: studies of the kinetics and reaction pathways of the key reactions of carbon-containing radicals of importance for generation of prompt NO and the inter-conversion of the nitrogen species within fuel-rich flames; applications and modelling related to NOx formati n.

Reactions playing a role in ignition and quenching is the second important field of investigation. Here experimental work will be carried out on the kinetics of reactions of alkylperoxy radicals in order to obtain absolute values for the rates of the key isomerisation reactions, responsible for low temperature auto-ignition of hydrocarbons. Furthermore, HO2 radical kinetics will be studied. There are very few experimental studies of HO2 reaction kinetics in the important middle temperature range (600 - 1000 K) where HO2 is an important radical in alkane and alkene combustion. Finally, application and modelling studies on auto-ignition will be carried out.

A third area of research deals with the formation of polycyclic aromatics hydrocarbons (PAH) and soot. The determination of the kinetics and mechanisms of higher temperature oxidation of aromatics and large hydrocarbon radicals is the main theme of these experimental investigations.

Campo scientifico (EuroSciVoc)

CORDIS classifica i progetti con EuroSciVoc, una tassonomia multilingue dei campi scientifici, attraverso un processo semi-automatico basato su tecniche NLP. Cfr.: Il Vocabolario Scientifico Europeo.

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Coordinatore

United Kingdom Atomic Energy Authority
Contributo UE
Nessun dato
Indirizzo
353,Harwell
OX11 0RA Didcot - Oxfordshire
Regno Unito

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