Petroleum Chemistry, Vol.37, No.2, 99-104, 1997
Theoretical assessment of the generation rate of radicals by the reaction of oxygen with C-H bonds of hydrocarbons
A theoretical calculation is made of the activation energies and pre-exponential factors of the reaction of oxygen with the C-H bonds of hydrocarbons of different structure (45 hydrocarbons). The dependence of the section of collision of molecules on the enthalpy of the reaction is taken into account in the calculations. Kinetic features of the initial stage of hydrocarbon oxidation are examined.
Keywords:DISSOCIATION;ENERGIES