Computational Model of Reaction Mechanism of Alkyl Peroxy Radicals with Organic Compounds in the Presence and Absence of Oxygen

On the basis of experimental data a kinetic model for the heterogeneous interaction between alkylperoxy radicals and organic compounds in Langmuir- Hinshelwood approach at room temperature has been offered. The effect of oxygen on the kinetics of process in the presence, [O2]o = 1 x 1011 – 1.6 x 1012 molecules.cm- 2, and absence of oxygen has been analyzed. Over time the chain degenerate branching mechanism of the process is accompanied by the increase of the radicals concentration in the presence of oxygen. However, in the absence of oxygen the radicals are consumed continuously and the length of chains becomes shorter. In this situation the phenomenon of radicals multiplication does not take place attributed to decrease the chain consumption rate of organic compound reagent.