Linda Broadbelt, Shumaila S. Khan, and Jim Pfaendtner (Northwestern University, Evanston, IL 60208, USA)
In this presentation Linda Broadbelt shows that lubricant degradation, tropospheric ozone formation and the production of biofuels from biomass need to be described with complex reaction networks. In these reaction networks the individual components and reaction families can be represented by specific matrices. The Evans-Polanyí relationship is used to estimate activation energies causing a reduction of the number of parameters. Kinetic parameters are estimated from the transition-state theory. The results are illustrated for decane and octane autoxidation, and for tropospheric ozone formation.
- Download the presentation: Creating and harnessing complex reaction networks: application to oxidation chemistry - Downloaded 209 times