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

Journal of Physical Chemistry & Eleectrochemistry

مقاله 2، دوره 3، شماره 2، مهر و آبان 2015، صفحه 177-181   

نوع مقاله: Research Paper

تاریخ دریافت: 20 مهر 1392،  تاریخ پذیرش: 20 مهر 1392 

چکیده

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.

کلیدواژه‌ها

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