Development and Validation of a Detailed Reaction Mechanism for the Combustion Modeling

Alexander A.Konnov

Department of Mechanical Engineering, Vrije Universiteit Brussels,

TW-WERK, Pleinlaan, 2, 1050 Brussels, Belgium

Abstract

A detailed reaction mechanism has been developed that accurately describes pyrolysis, ignition, oxidation and detonation of many small hydrocarbon and nitrogen-containing fuels reacting with different oxidizers over a wide range of conditions typical for combustion processes. The current version of the mechanism (Release 0.5) consists of 1200 reactions among 127 species. It differs from the previous release in that kinetics and experimental test data have been updated, improved, and expanded. Particular attention in the development of the current release of the mechanism has been paid to the validation of the H/N/O sub-mechanism. As soon as this mechanism is updated and re-evaluated each time when new reliable kinetic data become available, it is presented as work-in-progress on the World Wide Web, and it is accessible through URL http://homepages.vub.ac.be/~akonnov/.