The dynamics of dissociation of diatomic molecules and mass effect
- 1 March 1975
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 62 (5), 1712-1713
- https://doi.org/10.1063/1.430696
Abstract
The effect of the mass of the third body upon the dynamics of dissociation of Br2 at 6000°K was studied using 3D classical trajectory calculations. It was found that the dissociation cross section and the impact parameter, being sensitive functions of Br2 total energy, are also sensitive functions of the mass of the third body. However, the total equilibrium dissociation rate coefficient (one−way flux) varies but little with the mass of the third body. The latter finding is in qualitative agreement with the variational theory of reaction rates and the available experimental data.Keywords
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