Simulation of the catalytic oxidation of soot
Journal article, 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.

Author

Vladimir Zhdanov

Competence Centre for Catalysis (KCK)

Chalmers, Applied Physics, Chemical Physics

Reaction Kinetics, Mechanisms and Catalysis

1878-5190 (ISSN)

Vol. 108 1 41-49

Driving Forces

Sustainable development

Areas of Advance

Nanoscience and Nanotechnology (2010-2017)

Transport

Energy

Materials Science

Subject Categories

Chemical Process Engineering

Atom and Molecular Physics and Optics

Roots

Basic sciences

DOI

10.1007/s11144-012-0501-x

More information

Created

10/7/2017