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.
- 1-Hexene epoxidation in TS-1
- Multicomponent diffusion in silicalite
- PFG NMR
- n-Hexane diffusivity
ASJC Scopus subject areas
- Process Chemistry and Technology