PREDICTION OF RATE CONSTANTS FOR COMBUSTION AND PYROLYSIS REACTIONS BY BIMOLECULAR QRRK

Bimolecular QRRK (Quantum Rice-Ramsperger-Kassel) analysis is a simple method for calculating rate constants of addition and recombination reactions, based on unimolecular quantum-RRK theory. Input parameters are readily derived, and rate constants and reaction branching can be predicted with remarkable accuracy. Such predictive power makes the method especially useful in developing mechanisms of elementary reactions. Furthermore, from the bimolecular QRRK equations, limiting forms of the rate constants in the limits of low and high pressure are developed.