Solvent Polarity-Induced Pore Selectivity in H-ZSM-5 Catalysis

Solvent Polarity-Induced Pore Selectivity in H-ZSM-5 Catalysis

Molecular-sized micropores of ZSM-5 zeolite catalysts provide spatial restrictions around catalytic sites that allow for shape-selective catalysis. However, the fact that ZSM-5 has two main pore systems with different geometries is relatively unexploited as a potential source of additional shape selectivity. Here, we use confocal laser-scanning microscopy to show that by changing the polarity o...

Investigating Doped Mesoprous Zsm-5 for Cascade Catalysis

Morphology Induced Shape Selectivity in Zeolite Catalysis

A Density Functional Theory Study of the Interactions of H2O with H-ZSM-5, Cu-ZSM-5, and Co-ZSM-5

The interactions of water with H-ZSM-5, Cu-ZSM-5, and Co-ZSM-5 have been investigated by density functional theory (DFT). Calculations were also performed to determine the thermodynamics of metal removal from the zeolite. For all three forms of ZSM-5, water adsorbs by direct interaction of the O atom with the cation and hydrogen bonding of one of the two H atoms with an oxygen atom in the zeoli...

Adsorption of carbon monoxide in H-ZSM-5 and Li-ZSM-5 zeolites: an embedded ab initio cluster study

The absorption of carbon monoxide with H-ZSM-5 and metal-substituted Li-ZSM-5 zeolites has been investigated by Ž . using both cluster and embedded cluster approaches at the HFr6–31G d,p level of theory. For the H-ZSM-5 zeolite, the binding energy of CO on a 3T quantum cluster is predicted to be 2.25 kcalrmol for the C-bound complex. The O-bound complex was found to be less stable by about 0.84...