Kinetic modeling of n-hexane oxyfunctionalization over titanium silicalites: Effects of titanium content

The kinetics of n-hexane oxyfunctionalization over a series of titanium silicalites (TS-1) has been investigated using aqueous hydrogen peroxide (30 wt %). The oxyfunctionalization reaction has been modeled using results from a batch reactor. All catalysts were also characterized using analytical techniques such as XRD, UV-vis, and FT IR spectroscopies. The intrinsic kinetic constants were found to be proportional to the fraction of T atoms substituted with titanium in the TS-1 framework. This kinetic analysis indicates a substitutional limit of 1.9% T atoms, in full agreement with previous literature data obtained by analytical techniques. The effects of temperature and extra-framework titanium are also discussed.