Distribution of sodium cations in Faujasite-type zeolite: A canonical parallel tempering simulation study

Article Abstract:

A method that enables one to take into account in the Monte Carlo simulations for the possible redistribution of extra framework cations upon adsorption of guest molecules is presented. The resulting distributions were found to be in very good agreement with both available experiments and the QC model of Mortier and co-workers.

Analysis, Monte Carlo method, Monte Carlo methods

---

A simple model for predicting the Na(super +) distribution in anhydrous NaY and NaX zeolites

Article Abstract:

A simple model is used for predicting the way cations are distributed among the known crystalographic sites I, I, II, and III, in NaY and NaX faujasite zeolites. The existence of the extra site III experimentally reported in NaX is observed in these simulations.

---

Diffusion of benzene in NaX and NaY zeolites studied by quasi-elastic neutron scattering

Article Abstract:

Quasi-elastic neutron scattering is used to study the diffraction of benzene in NaX and NaY zeolites. It was concluded that the activation energy for the diffusion in NaY, 33.7 kJ/mol, is about twice than in NaX, 17 kJ/mol, at low loading.

Petrochemical Manufacturing, Benzene

Similar abstracts:

• Abstracts: Scattering of ice particles from a graphite surface: A molecular dynamics simulation study. A molecular dynamics study of the long-time ice Ih surface dynamics
• Abstracts: Chemisorption of CO at Strongly Basic Sites of MgO Solid: A Theoretical Study. The [2+1] cycloadditions of dichlorocarbene, silylene, germylene, and oxycarbonylnitrene onto the sidewall of armchair (5,5) single-wall carbon nanotube
• Abstracts: Metallic nature and surface diffusion of CO adsorbed on Ru nanoparticles in aqueous media: A (super 13)C NMR study
• Abstracts: Investigation of charge transport in thin, doped sexithiophene crystals by conducting probe atomic force microscopy
• Abstracts: Sedimentation of a nonconducting sphere in a spherical cavity. Dynamic electrophoretic mobility of concentrated spherical dispersions

This website is not affiliated with document authors or copyright owners. This page is provided for informational purposes only. Unintentional errors are possible.