A Classical Trajectory Study of the Reaction O(1D)+O3(X1A1)→2O2(X3Σsub>g-)
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Abstract
Classical trajectories have been calculated for the reaction O(1D)+O3(X1A1)→2O2(X3Σg-) using an analytical potential energy function for the ground state surface. The reactive cross section at an impact energy of 0.0327eV and product scattering angle, vibration state and translation energy distribution have obtained. From this results, an approximate rate constant has been get of 0.56×10-10cm3∙s-1 molecule-1 at 298K, it is agreement with the experimental value of 1.2×10-10cm3∙s-1molecule-1. 56.9% of the total energy released appears in vibrational O2, 42.8% in translational, and less than 0.3% in rotational.
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