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SHRNUTÍ Tato prace prezentuje novy přistup k numericke simulaci chemicke přeměny složek v průběhu hořeni. V připadech abnormalně rychlych chemickych reakci je kineticke schema kombinovano se schematem rovnovažnym. Timto způsobem jsou řešeny važne vypočetni problemy jako je strnulost soustavy rovnic na straně jedne či numericka nestabilita na straně druhe. Navržena procedura je ověřena na připadu hořeni vodiku popsaneho reakčnim mechanismem obsahujicim 23 paralelně probihajicich obecně vratnych reakci. Funkčni sub-model chemicke transformace bude implementovan do vice-zonoveho modelu spalovani pro řešeni chemickych procesů ve frontě plamene a post-plamennych oblastech. ABSTRACT The paper presents a new approach for numerical simulation of the transformation of chemical species during combustion. A standard kinetic arrangement is combined with an equilibrium one in the case of abnormally fast chemical reactions. In this way serious computational issues, such as equation system stiffness on one hand or numerical instability on the other, are resolved. The proposed procedure is verified for the case of hydrogen combustion, described by a reaction mechanism consisting of 23 reactions running in parallel and generally reversible. A functional chemical transformation sub-model is implemented into the multi-zone model of combustion to treat the chemical processes in the flame and post-combustion areas.

Description of the transformation of chemical species using a combination of chemical kinetics and chemical equilibrium