ACTIVATION ENERGIES AND RATE CONSTANTS COMPUTED FOR THE COMBUSTION OF HYDROCARBON AND HYDROGEN FUELS,
Abstract
A method is described for computing activation energies and rate constants of bimolecular combustion reactions of atomic oxygen and molecular oxygen with hydrocarbon and inorganic fuels. The procedure is a modification of the transition-state bond-energy method previously applied in this series of investigations of rate data prediction for propellant performance and reentry nonequilibrium computer programs. Modification of the method was necessary in the investigation of combustion by O or O2 in order to include the effect of the triplet ground states on quantum-mechanical repulsion. The modified procedure provided much better agreement with experiment than did the method that neglects the triplet nature of ground-state O or O2. Computations of activation energies and rate constants were also made for combustion reactions of fuels with excited electronic states of oxygen that are likely to be more significant in high-temperature reactions. The excited states for which rate-constant computations are made for combustion reactions of fuels with excited electronic states of oxygen that are likely to be more significant in high-temperature reactions. The excited states for which rate-constant computations were made include O2(1)Delta-g), O2((1)Sigma-g(+), O((1)D), and ((1)S). (Author)
Document Details
- Document Type
- Technical Report
- Publication Date
- Mar 01, 1968
- Accession Number
- AD0669827
Entities
People
- Leroy Schieler
- Stanley W. Mayer
Organizations
- The Aerospace Corporation