## Abstract

Rate constants and activation energies for selected initial rotational levels, thermally averaged over vibrational states and translational energies, are calculated for Ar+H_{2}→Ar+H+H by the Monte Carlo quasiclassical trajectory method. The results show that activation energies for high rotational quantum numbers exceed those estimated from centrifugal barrier heights. To characterize the rotational-level model of diatomic dissociation, we tabulate rate constants, activation energies, and other properties of dissociative collisions as functions of initial rotational quantum number j for conditions of thermal vibrational and translational degrees of freedom at 4500 K. Under equilibrium conditions, dissociation from a given j level is shown to occur primarily from the topmost ν state of that j level.

Original language | English (US) |
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Pages (from-to) | 6709-6712 |

Number of pages | 4 |

Journal | The Journal of chemical physics |

Volume | 74 |

Issue number | 12 |

DOIs | |

State | Published - Jan 1 1981 |

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