Is 1-hexene epoxidation in TS-1 diffusion limited in different solvents?

Chen E. Ramachandran, Qi Zhao, Arlette Zikanova, Milan Kocirik, Linda J. Broadbelt, Randall Q. Snurr*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

14 Scopus citations


PFG NMR diffusion measurements were carried out to determine the effect of solvent on intracrystalline reactant diffusivities and on 1-hexene epoxidation rates in TS-1 catalyst. Using n-hexane in silicalite as a mimic for the TS-1 system, the self-diffusivity of n-hexane in silicalite was found to be 24% higher in methanol solvent than in acetonitrile solvent and 45% higher than in acetone solvent. The presence of trace Al did not affect n-hexane diffusivity. Based on analysis of the Weisz modulus for a slab morphology, the 1-hexene epoxidation reaction in TS-1 was found to be diffusion limited only if the crystal size is at least 38 μm in the methanol system.

Original languageEnglish (US)
Pages (from-to)936-940
Number of pages5
JournalCatalysis Communications
Issue number12
StatePublished - Dec 2006


  • 1-Hexene epoxidation in TS-1
  • Multicomponent diffusion in silicalite
  • Silicalite
  • n-Hexane diffusivity

ASJC Scopus subject areas

  • Catalysis
  • Chemistry(all)
  • Process Chemistry and Technology

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