The operating conditions window and experimental procedures ensuring “steady-state” operation in methanol to hydrocarbon conversion have been experimentally determined over an H-ZSM-5 zeolite with considerable acidity (Si/Al = 40).

Hierarchical crystals with short diffusion path, conventional microcrystals and nanocrystals of ZSM-5 zeolites were used for biodiesel production from waste frying oils assessed their catalytic activity in regard to pore structure acidic properties. Produced characterized using XRD, nitrogen adsorption–desorption, SEM, TEM, X-ray fluorescence, FTIR. Pore size effect on molecular limitation was ...

Two flame retarded plastics have been pyrolysed in the presence of two Zeolite catalysts to remove the organobromine compounds from the derived pyrolysis oil. The flame retarded plastics were, acrylonitrile – butadiene – styrene (ABS) that was flame retarded with tetrabromobisphenol A and high-impact-polystyrene (HIPS) that was flame retarded with decabromodiphenyl ether. The two catalysts inve...

The dynamics of carburization of Mo-oxo precursors exchanged onto H-ZSM-5 strongly influence initial induction periods and steady-state rates during catalytic pyrolysis of CH4 to alkenes and arenes at 900-1000 K. The effects of co-reactants and of activating conditions were examined by on-line time-resolved mass spectrometric analysis of effluent streams using rigorous analyses to account for e...

Using reactive molecular dynamics (RMD), we present an atomistic insight into the interaction between water molecules and acidic centers of H-ZSM-5 zeolite. The reactive force field method, ReaxFF, was used to evaluate the adsorption and diffusion of water as well as to study the protonation of water molecules inside zeolite channels. The existing Si/Al/O/H parameters were refitted against DFT ...

The dynamics of water confined in H-ZSM-5 (protonated form the Zeolite Socony Mobil – 5) has been studied using quasielastic neutron scattering (QENS) and classical molecular simulations (MD). QENS measurements probed ZSM-5 samples with Si/Al ratios 15, 40 140 at 2.8 wt% loadings. In lower silica samples, fitting elastic incoherent structure factor (EISF) showed that diffusion was to a sphere (...

Mo carbide nanoparticles supported on ZSM-5 zeolites are promising catalysts for methane dehydroaromatization. For this and other applications, it is important to identify the structure and anchoring sites of Mo carbide nanoparticles. In this work, structures of Mo2Cx (x = 1, 2, 3, 4, and 6) and Mo4Cx (x = 2, 4, 6, and 8) nanoparticles are identified using a genetic algorithm with density funct...

Dehydroaromatization of methane (MDA) under non-oxidative conditions is a promising reaction for direct valorization natural gas and biogas. Typically, Fe-modified ZSM-5 catalysts display low aromatic productivity high coke selectivity in the MDA reaction. Herein, we show benefit starting from isomorphously substituted Fe-sites [Fe,Al]ZSM-5 zeolites prepared by hydrothermal synthesis. Upon calc...