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 alkylperoxyradicals 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, [O۲]o = ۱ x ۱۰۱۱ – ۱.۶ x ۱۰۱۲ molecules.cm-۲, and absence of oxygen has been analyzed. Over time the chain degenerate branching mechanism of theprocess is accompanied by the increase of the radicals concentration in the presence of oxygen. However, inthe absence of oxygen the radicals are consumed continuously and the length of chains becomes shorter. Inthis situation the phenomenon of radicals multiplication does not take place attributed to decrease the chainconsumption rate of organic compound reagent.

کلیدواژه ها:

Kinetics Model ، Mechanism ، Alkylperoxy Radical ، Organic Compound ، Rate Constant