This paper provides results of the rate constants about several main reactions in the combustion mechanism of the P_xO_y(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.

本文提供了P _x O _y（x = 1，2和y = 1-5）系统燃烧机理中几个主要反应速率常数的结果。利用RRKM法和TS理论计算了与磷燃烧机理有关的一次反应的谐波和非谐速率常数。还给出了热力学和动力学参数。事实证明，对于某些双分子反应，在非谐和常数速率常数之间会发生交界。一般而言，在高温下，谐波速率常数高于非谐波速率常数。而且，随着温度的升高，非谐效应更加明显，这是不容忽视的。