Accession Number : AD0751910
Title : Monte Carlo Calculations of Reaction Rates H + HF(v) yielding H2(v') + F and H + HF(v) yielding HF(v') + H.
Descriptive Note : Rept. for Jan-Jun 72,
Corporate Author : AEROSPACE CORP EL SEGUNDO CALIF LAB OPERATIONS
Personal Author(s) : Wilkins,Roger L.
Report Date : 15 NOV 1972
Pagination or Media Count : 30
Abstract : A total of 10,000 three-dimenional classical trajectories on a semi-empirical potential energy surface were computed for collisions of H atoms with vibrationally excited HF, chemical effects provide an important mechanism for the efficient relaxation of HF in collision with H, and the deactivation rates are extremely fast. Both theory and experiment indicate that the rate of deactivation of vibrationally excited hydrogen fluoride is amost gas kinetic. Rate coefficients are provided for many reactions that have not been measured experimentally. (Author)
Descriptors : (*FLUORIDES, CHEMICAL REACTIONS), HYDROGEN COMPOUNDS, HYDROGEN, ATOMS, REACTION KINETICS, POTENTIAL ENERGY, MOLECULAR ENERGY LEVELS, VIBRATION, RELAXATION TIME, GAS LASERS, EXCITATION
Subject Categories : Lasers and Masers
Atomic and Molecular Physics and Spectroscopy
Distribution Statement : APPROVED FOR PUBLIC RELEASE