The relative nonequilibrium energy distribution function, in the steady state for the irreversibly reacting Br2in an argon system at 3500 K, is calculated. It is based upon 44thinsp;400 classical 3Dtrajectories, and uses the single uniform ensemble method lsqb;H. D. Kutz and G. Burns, J. Chem. Phys.72, 3562 (1980)rsqb;. Although the raw data display a considerable scatter, they clearly indicate a depletion from the equilibrium distribution function over a wide energy range. A careful statistical study of the data is performed. It is found that their histograms can be described over the entire possible energy range by a simple analytical function with only one adjustable parameter. The best fitting procedure yields a surprisingly narrow goodness of fit. However, an apparent deviation of the fit from the data is observed in the energy region where the reaction channel opens. To that extent, this work sheds a new light on the nature of the steady state in an irreversible reaction.
展开▼