Simulation of hydrocarbon diffusion in zeolites

Edward J. Maginn*, Randall Q. Snurr, Alexis T. Bell, Doros N. Theodorou

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

10 Scopus citations


Simulation of hydrocarbon diffusion in zeolites provides insights into the effects of diffusant molecular weight and structure, and the physical processes controlling diffusion. Different approaches for simulating hydrocarbon diffusion are considered and the results are compared with experiment.

Original languageEnglish (US)
Pages (from-to)1851-1858
Number of pages8
JournalStudies in Surface Science and Catalysis
Volume105 C
StatePublished - 1997

ASJC Scopus subject areas

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


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