Fourier transform infrared and quasielectron neutron scattering studies on the binding modes of methanol molecules in the confined spaces of HMCM-41 and HZSM-5: Role of pore structure and surface acid sites

Article Abstract:

Quasielectron neutron scattering (QENS) and Fourier transform infrared spectroscopic studies are carried out on methanol molecules adsorbed in HMCM-41 and HZSM-5 molecular sieves to examine the effect of pore structure on their occluded state under the conditions of ambient temperature and 5-250 mbar pressures. The study has shown that the chemical nature and the shape of the guest molecule play an important role in controlling the physical state of an occluded phase.

All Other Basic Organic Chemical Manufacturing, Industrial inorganic chemicals, not elsewhere classified, Methanol, Aluminum Silicate, Usage, Aluminum silicates, Fourier transform infrared spectroscopy, Structure, Atomic properties

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Cation mobility and the sorption of chloroform in zeolite NaY: Molecular dynamics study

Article Abstract:

Molecular dynamics simulations of the adsorption of chloroform on zeolite NaY, carried out to elucidate aspects of the cation migration process are reported. Rearrangements of the cation positions is observed upon evacuation of the simulation cell, with some cations reverting back to sites mormally occupied in bare NaY.

Science & research, Potassium & Sodium Compounds, Sodium & Sodium Compounds, Research, Molecular dynamics, Adsorption, Yttrium, Sodium compounds

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