
%0 Journal Article
%A Whyte, AR 
%A Gilbert, RG 
%T A Classical Trajectory Calculation of Average Energy Transfer Parameters for the CH<sub>3</sub>OO+Ar System
%J Australian Journal of Chemistry
%D 1989/08/01
%V 42
%N 8
%P 1227-1234
%K 
%R https://doi.org/10.1071/CH9891227
%U https://www.publish.csiro.au/paper/CH9891227 
%X A newly developed method is used to calculate the average energy transferred in collisions between a highly vibrationally excited methylperoxy radical and argon bath gas. The method involves modelling the process through classical trajectory simulations with accurate intra- and inter-molecular potentials. These calculations show that the root-mean-squared internal energy transferred per collision is c. 275 cm-1 for 300 &#8804; T/K &#8804; 600 (the CH302 internal energy being 104 cm-1, the dissociation threshold), while the same quantity for rotational energy is c. 290 cm-l. These results make it possible for rate data obtained by other workers for the reaction CH3O2+M &#8596; CH3+02+M over limited pressure and temperature ranges to be used to predict reliably the appropriate rate coefficients at any temperature and pressure. 
