On the applicability of fractals and Monte Carlo methods to heterogeneous catalysis

K. A. Fichthorn, R. M. Ziff, E. Gulari

Research output: Contribution to journalArticlepeer-review

4 Scopus citations

Abstract

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.

Original languageEnglish (US)
Pages (from-to)883-894
Number of pages12
JournalStudies in Surface Science and Catalysis
Volume38
Issue numberC
DOIs
StatePublished - 1988

All Science Journal Classification (ASJC) codes

  • Catalysis
  • Condensed Matter Physics
  • Physical and Theoretical Chemistry
  • Surfaces, Coatings and Films
  • Materials Chemistry

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