Abstract
This paper provides results of the rate constants about several main reactions in the combustion mechanism of the PxOy(x = 1, 2 and y = 1–5) system. The harmonic and anharmonic rate constants of the primary reaction related to phosphorus combustion mechanisms are calculated by RRKM method and the TS theory. The thermodynamic and kinetics parameters are also given. It turns out that there is a junction occurs between the anharmonic and harmonic rate constant for some bimolecular reactions. Generally speaking, the harmonic rate constant is higher than the anharmonic rate constant at high temperatures. Moreover, the anharmonic effect is more evident with the increasing temperature, which cannot be ignored.
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