The conversion of methane to methanol over zeolitic a-oxygen sites has been demonstrated using Fe-ZSM-5. To discriminate between monoand poly-nuclear active sites, we prepared the [Fe]-ZEO with iron in the ZEOlite lattice via direct synthesis and Fex-ZEO, by dispersion of x wt.% iron on the ZEOlite. Shape-selective formation of nano-clusters of iron oxides with various sizes is realized inside ...

The separation and purification of peptides and proteins using chromatography can make up more than half the amount of the total purification costs of a biotechnological process [1]. The development of cost-efficient processes still suffers from the lack of understanding on a molecular level of adsorption mechanisms of biomolecules on materials surfaces. To explore the power of computer science...

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...

Non-oxidative coupling of methane is a promising route to obtain ethylene directly from natural gas. We synthesized siliceous [Fe]zeolites with MFI and CHA topologies found that they display high selectivity (>90 % for >99 CHA) ethane among gas-phase products. Deactivated can be regenerated by burning coke in air. In situ X-ray absorption spectroscopy demonstrates the isolated Fe3+ centers zeol...