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Detailed modeling of carbon oxidation

Per-Anders Carlsson (Institutionen för kemi- och bioteknik, Teknisk ytkemi ; Kompetenscentrum katalys (KCK))
Journal of Physical Chemistry C (1932-7447). (2012)
[Artikel, refereegranskad vetenskaplig]

The kinetics of low-temperature oxidation of a synthetic carbon black material, i.e. Printex- U, by gaseous oxygen is modeled via conventional mean-field treatment of various detailed reaction schemes as well as lumped models. The significance of different elementary steps is elucidated by comparing predicted CO and CO2 formation during temperature programmed and isothermal carbon oxidation with the corresponding experimental data. In specific the connection between oxidation rate and surface coverages of reaction intermediates is demonstrated. The results suggest that activation of the carbon surface by oxygen adsorption is a key-step for further carbon oxidation and that gas phase oxygen plays a direct role in the formation of CO and CO2. Furthermore, the results suggest that Printex-U is preferably modeled as spherical shaped particles, especially at high conversion stages.



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Denna post skapades 2012-04-13. Senast ändrad 2014-10-27.
CPL Pubid: 156616

 

Institutioner (Chalmers)

Institutionen för kemi- och bioteknik, Teknisk ytkemi (2005-2014)
Kompetenscentrum katalys (KCK)

Ämnesområden

Energi
Materialvetenskap
Nanovetenskap och nanoteknik
Transport
Hållbar utveckling
Kemisk fysik

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