Accession Number:

AD0748291

Title:

Monte Carlo Calculations of Reaction Rates and Energy Distributions Among Reaction Products F + H2 yields HF + H,

Descriptive Note:

Corporate Author:

AEROSPACE CORP EL SEGUNDO CALIF LAB OPERATIONS

Personal Author(s):

Report Date:

1972-09-15

Pagination or Media Count:

32.0

Abstract:

A three-dimensional, classical trajectory calculation is made of the collision dynamics of the reaction F H2v,J to HFv,J H by means of the London-Eyring-Polanyi-Sato LEPS potential energy surface. Monte Carlo procedures are used to start each collision trajectory. A discussion is presented of the temperature dependence of the relative rates of formation of vibrationally excited hydrogen fluoride. By means of this calculation, it can be predicted that 71 of the mean fraction of available energy will become vibration in HF, 10.5 will become rotation in HF, and 18.5 will become translation in the product. Reaction rate constants are presented for reaction directly into specific vibrational and rotational states of the product HF molecule.

Subject Categories:

  • Atomic and Molecular Physics and Spectroscopy

Distribution Statement:

APPROVED FOR PUBLIC RELEASE