Reaction Kinetics and Reaktion Mechanisms
Adequate modeling of combustion systems is very complicated because of the complexity of combustion process, large number of chemical reactions and species, fast changes in temperature, density and volume often followed by turbulence and complex geometry.
A detailed reaction mechanism is a collection of elementary chemical processes (often referred to as elementary steps or elementary reactions) that occur on a molecular level, describing the overall chemical process. Detailed reaction mechanisms for combustion of complex hydrocarbons commonly used in practice, as well as in numerical simulations, contain large amount of species, therefore a large number of theoretically possible elementary reactions among them. Under specific conditions and fixed physical parameters (e.g. pressure, temperature and mixture composition), it is reasonable to assume that overall chemical process will follow a less branched reaction path involving much less reactions and species than those predicted by a detailed reaction mechanism. Therefore, it is imperative to develop different techniques to create reduced chemical kinetic mechanisms that approximate the results of detailed chemical kinetic descriptions, over a range of conditions using fewer species, and thus less CPU time and memory.
left: Temperature field and streamline pattern
right: CH3 concentration field for probe positions of 0.32 mm, 0.73 mm and 1.06 mm above the burner surface
Temperature fields with and without a sampling nozzle
Description of a reaction path
Temperature distribution inside an iron oxide synthesis reactor
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