Vetenskaplig slutrapport
Abstracts
In the first part of the project, the effect of the spherule size distribution on the oxidation kinetics was found to be appreciable and accordingly should be taken into account in interpretations of the corresponding experiments. The latter was illustrated by scrutinizing relevant experimental data and illustrating that a model with disc-like spherules with a realistic size-distribution appears to be preferable.
The second part conventional mean-field treatment of reaction kinetics was used to explore different mechanistic elementary reaction steps involved in oxidation of solid carbon by oxygen. By addressing various reaction schemes and corresponding kinetic equations, the evolutions of CO and CO2 during temperature programmed and isothermal oxidation of Printex-U have been simulated. By comparing the results with the corresponding experimental data, the significance of different key-steps has been elucidated. In specific, the connection between reactivity and surface coverages of reaction intermediates/products has been demonstrated. The results suggest that activation of carbon surface by oxygen adsorption is a crucial step for further carbon oxidation and that gas phase oxygen plays a direct role in the CO and CO2 production. The results also suggest that Printex-U is preferably modeled as spherical particles. Moreover, the results show that temperature programmed oxidation experiments alone are insufficient to ascertain a specific reaction mechanism.
Kontaktperson: Mikaela Wallin
Utgivare: Chalmers, 412 96 Göteborg
Författare: P-A Carlsson
Språk: Engelska
Sidor: 16
