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Kinetic Modeling of Propane Oxidation in the Temperature Range of 700 to 1100 K

S. D. Arsentev, L. A. Tavadyan, Mikhail G. Bryukov, A. S. Palankoeva, A. A. Belyaev, V. S. Arutyunov

2022Russian Journal of Physical Chemistry B11 citationsDOI

Abstract

Abstract This paper presents experimental results on the oxidation of propane and propylene in laboratory reactors and the results of their kinetic modeling, based on the mechanisms represented in literature. It was established that in the oxidation and pyrolysis of propane, chain propagation reactions involving alkyl peroxyl radicals play a significant role. The results of modeling show the possibility of quantitatively match the calculations with the experimental results obtained in laboratory-scale reactors taking into account a number of processes that occur with the participation of active intermediate components on the reactor surface. Contrary to expectations, during the conjugated oxidation of propane and propylene under these conditions, these hydrocarbons barely affect each other’s conversion.

Topics & Concepts

PropanePyrolysisChemistryRadicalKinetic energyChain propagationAlkylConjugated systemThermodynamicsOrganic chemistryPhotochemistryPolymerizationPhysicsPolymerQuantum mechanicsAdvanced Combustion Engine TechnologiesCatalysis and Oxidation ReactionsCatalytic Processes in Materials Science
Kinetic Modeling of Propane Oxidation in the Temperature Range of 700 to 1100 K | Litcius