Application of the Monte Carlo method to modeling kinetic processes of polyatomic molecules and clusters: II. Kinetics of unimolecular reactions of polyatomic molecules
Iv. Zhil'Tsova et al., Application of the Monte Carlo method to modeling kinetic processes of polyatomic molecules and clusters: II. Kinetics of unimolecular reactions of polyatomic molecules, KINET CATAL, 42(4), 2001, pp. 435-442
The method for statistical modeling of the kinetics of unimolecular decompo
sition of polyatomic molecules based on the construction of nonequilibrium
functions of the distribution over the energies of the vibrational excitati
on of molecules is developed. The rate constants for the two-channel decomp
osition of a model molecule depending on temperature and pressure are repor
ted. The relaxation characteristics for the dissociation of the model molec
ule are determined.