Solvent effects in the epoxidation reaction of 1-hexene with titanium silicalite-1 catalyst

Chen E. Ramachandran, Hongwei Du, Yoo Joong Kim, Mayfair C. Kung, Randall Q. Snurr, Linda J. Broadbelt*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

32 Scopus citations


The epoxidation of 1-hexene with titanium silicalite-1 (TS-1) catalyst was investigated to gain insight into the effect of the solvent on the observed reactivity. Three different solvents were examined: methanol, acetonitrile, and acetone. Kinetic data were obtained from batch reaction experiments, with an emphasis placed on gathering more accurate initial rates than those reported in the literature. The dependencies of the rates on the concentrations of 1-hexene, water, and hydrogen peroxide were determined. The adsorption behavior of 1-hexene in TS-1 in the three different solvents was determined independently by batch sorption experiments. Results showed that the solvent has a significant effect on the adsorption of 1-hexene, and hence on the reaction kinetics. Kinetic modeling incorporating experimental and simulated quaternary adsorption isotherms to describe quasi-equilibrated steps revealed that the differences in the observed reaction kinetics may be attributed mostly, but not entirely, to differences of the partitioning of 1-hexene between the bulk and intraporous phases among the three different solvents.

Original languageEnglish (US)
Pages (from-to)148-158
Number of pages11
JournalJournal of Catalysis
Issue number1
StatePublished - Jan 1 2008


  • 1-Hexene
  • 1-Hexene adsorption
  • Epoxidation
  • Multicomponent adsorption in silicalite
  • Silicalite
  • Solvent effects
  • TS-1
  • Titanium silicalite-1

ASJC Scopus subject areas

  • Catalysis
  • Physical and Theoretical Chemistry


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