In this paper, we discuss the advantages of utilizing Monte Carlo methods and fractal scaling relationships to model surface phenomena which occur during catalysis. To demonstrate these tools, we simulate a model catalytic reaction with Monte Carlo and analyze the resulting surface structures with fractal scaling relationships. We find that adsorbate islands with several fractal attributes form in our model system. The growth of these islands leads to the slow, but eventual, poisoning of our catalytic surfaces.
All Science Journal Classification (ASJC) codes
- Condensed Matter Physics
- Physical and Theoretical Chemistry
- Surfaces, Coatings and Films
- Materials Chemistry