Simulation of the catalytic oxidation of soot
Artikel i vetenskaplig tidskrift, 2013

Soot oxidation by supported metal nanoparticles is simulated by using the Monte Carlo technique. The coarse-grained lattice model proposed for this process describes the deposition, diffusion, aggregation and reaction of carbon nanoparticles. Each carbon or catalyst nanoparticle is assumed to occupy a single site of a 3D cubic lattice. With increasing deposition rate (or decreasing reaction rate), the model predicts a transition from the steady state with a submonolayer of soot to the growth of mesoscopic 3D carbon agglomerates. In these cases, the reaction rate is, respectively, close to and lower than the deposition rate.

Författare

Vladimir Zhdanov

Kompetenscentrum katalys (KCK)

Chalmers, Teknisk fysik, Kemisk fysik

Reaction Kinetics, Mechanisms and Catalysis

1878-5190 (ISSN)

Vol. 108 41-49

Drivkrafter

Hållbar utveckling

Styrkeområden

Nanovetenskap och nanoteknik

Transport

Energi

Materialvetenskap

Ämneskategorier

Kemiska processer

Atom- och molekylfysik och optik

Fundament

Grundläggande vetenskaper

DOI

10.1007/s11144-012-0501-x