Modeling mechanism of oscillating catalytic processes, with application to hydrogenperoxide decomposition

[Ž. Čupić]

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Fizička hemija – biofizička hemija i dinamika neravnotežnih procesa / Physical chemistry – biophysical chemistry and dynamics of non-equilibrium processes

Urađena je detaljna analiza postupaka koje bi trebalo primeniti pri analizi svih složenih procesa, a posebno pri modeliranju oscilatornih katalitičkih reakcija. Sintezom odabranih metoda sačinjen je sopstveni opšti postupak koji je primenjen na polazni model reakcije Braj- Libhavski. Tokom postupka modeliranja, formiran je niz redukovanih modela i utvrđene su njihove osobine. Dobijeni uprošćeni modeli i dalje omogućavaju simulaciju oscilacija, a dovoljno su pojednostavljeni da omoguće i kvantitativnu analizu uslova stabilnosti. Primenjena analitička procedura daje uvid u ulogu pojedinih delova reakcionog mehanizma u celokupnom procesu i naročito u mehanizmu oscilovanja.

Detailed analysis was performed of the methods that should be employed in the analysis of complex processes, especially in the modeling of the oscillatory catalytic reactions. By synthesis of selected methods, our own general procedure was made and applied to the initial model of the Bray – Liebhavsky reaction. During the modeling process, a series of reduced models was created and their characteristics defined. The resulting simplified models still allow the simulation of oscillations, but they are sufficiently simplified to allow quantitative analysis of the stability conditions. Applied analytical procedure provides insight into the role of individual components of the reaction mechanism in the whole process and especially in the mechanism of oscillations.

modeliranje, analiza stehiometrijskih mreža, razlaganje vodonik peroksida, kinetika, nelinearna dinamika, osцilatorne reakцije, kataliza

modeling, stoichiometric network analysis, hydrogen peroxide decomposition, kinetics, nonlinear dynamics, oscillating reactions, catalysis

519.876.5:544.4(043.3)

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