Computer aided design of gas phase free radicals reaction mechanisms
Programs have been written allowing the computer aided design of gas phase free radical reaction mechanisms, the estimation of thermodynamic properties of molecules and free radicals, and the computation of kinetic parameters of elementary reactions. Generated mechanisms can be either comprehensive or lumped. Numerical data are estimated by means of Benson's techniques. An application to halon chemistry is shown.
Bibliographic Reference: Paper presented: Second International Conference on Combustion Technologies for a Clean Environment, Lisboa (PT), July 19-22, 1993
Availability: Available from (1) as Paper EN 37708 ORA
Record Number: 199311056 / Last updated on: 1994-11-29
Original language: en
Available languages: en