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Third body efficiencies for collisionhyphen;induced dissociation of diatomics. Rate coefficients for H+H2rarr;3H

机译:Third body efficiencies for collisionhyphen;induced dissociation of diatomics. Rate coefficients for H+H2rarr;3H

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摘要

Fixedhyphen;energy cross sections, thermalhyphen;translation rate constants, energies of activation, opacity functions, and probabilities of reaction as functions of initial relative orientation angle are presented for the reaction H+H2(v,thinsp;j)rarr;3H on the lowesthyphen;energy potential surface for selected initial vibrationalhyphen;rotational states (v,thinsp;j) of H2. In agreement with the experimental result for steady dissociation of a thermal mixture of initial states, the collisionhyphen;induced dissociation process for these statehyphen;selected processes is found to be considerably enhanced for H as collision partner as compared to Ar as collision partner. We find that the cross sections for collisionhyphen;induced dissociation are strongly increasing functions of initial internal energy and initial vibrational quantum number. The general trend at 4500 K is that the rate constants increase more rapidly than the equilibrium populations decreases as we increasev. The activation energies for complete dissociation are larger than the fixedhyphen;state binding energies by 0.2ndash;1.1 eV.

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