Powder neutron and X-ray diffraction studies of benzene adsorbed in zeolite ZSM-5

Article Abstract:

It has been possible to measure powder neutron and synchrotron X-ray diffraction patterns from zeolite ZSM-5 containing levels of adsorbed benzene of around 3.4 molecules per unit cell and 7.6 molecules per unit cell.

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Adsorption sites and diffusion rates of benzene in HY zeolite by force field based simulations

Article Abstract:

Research is presented concerning the use of theoretical simulations to investigate the diffusion and adsorption of benzene in a solution of zeolite HY by use of the density functional theory, molecular mechanics and neutron diffraction, spectroscopy and gravimetry.

Usage, Measurement, Neutrons, Nuclear magnetic resonance spectroscopy, Neutron diffraction, Gravity, Gravity (Force), Chemistry, Physical and theoretical, Physical chemistry, Infrared spectroscopy, Density functionals, Density functional theory

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Thermodynamics and kinetics of adsorption of selected monoalkylbenzenes in H-ZSM-5

Article Abstract:

The adsorption of n-propylbenzene, isopropylbenzene, and n-butylbenzene in H-ZSM-5 is investigated. Analysis focused on the substituent attached to the benzene ring and its influence on the sorption and diffusion properties in MFI-type zeolites. Results showed that the adsorption isotherms are of type 1 and are well described by the Langmuir-Freundlich model. It is also demonstrated that the heat of adsorption of the longer sorbate molecules is linked to the concentration, suggesting the influence of sorbate-sorbate interaction. Uptake rates are also calculated by Fickian diffusion.

Chemical reaction, Rate of, Chemical kinetics, Thermodynamics

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