Accession Number : AD0815836

Title :   COMPUTED ACTIVATION ENERGIES AND RATE CONSTANTS FOR FORWARD AND REVERSE TRANSFERS OF HYDROGEN ATOMS.

Descriptive Note : Rept. for Sep 66-Mar 67,

Corporate Author : AEROSPACE CORP EL SEGUNDO CA LABS DIV

Personal Author(s) : Mayer, Stanley W. ; Schieler, Leroy

Report Date : MAY 1967

Pagination or Media Count : 15

Abstract : Activation energies were computed for 324 gas phase hydrogen-atom transfers between atoms of atomic numbers 1 through 19 (excluding the inert gases) as well as Br and I. Eighteen exchange reactions and 153 reverse reactions were included. A modification of the Johnston-Parr method that considers the temperature region in which the activated complex can be expected to obey small-vibration theory was used to calculate rate constants and rate-equation parameters from 298 to 2500 K. Comparison of computed E sub O and k with experiment shows satisfactory agreement over this temperature range, except for the H2 + O = H + OH transfer. The sub O and k values for forward and reverse reactions agree very well with theory. Contributions of the activated-complex vibrations and tunneling are discussed briefly. (Author)

Descriptors :   (*HEAT OF ACTIVATION, EXCHANGE REACTIONS), (*HYDROGEN, CHEMICAL REACTIONS), NOZZLE GAS FLOW, GASES, TEMPERATURE, VIBRATION, COMBUSTION PRODUCTS, EXHAUST GASES, FREE RADICALS, NONEQUILIBRIUM FLOW, REACTION KINETICS, RECOMBINATION REACTIONS, ROCKET PROPELLANTS.

Subject Categories : Thermodynamics

Distribution Statement : APPROVED FOR PUBLIC RELEASE