Intracrystalline zeolite silanol defect groups (≡SiOH) were modelled in silicalite (silica ZSM-5, MFI) using experimental data. We make a molecular dynamics study on the self-diffusivity of benzene with defects. The simulations at three different loadings (1, 3 and 5 per unit cell) temperatures (298, 348 398 K) allow to calculate self-diffusivity, adsorption energy activation energy. results sh...

Pt/Sn-containing MFI zeolites prepared by one-pot hydrothermal methods are highly active and selective catalysts for propane dehydrogenation. An alternative preparation method is reported alongside an in-depth characterization of Pt Sn before after reaction. species dispersed on highly-defective Silicalite-1 show a significantly long catalytic lifetime with improved coke resistance, but increas...