Experimental determination of electrostatic properties of Na–X zeolite from high resolution X-ray diffraction-Reference-Cited by-同舟云学术

Experimental determination of electrostatic properties of Na–X zeolite from high resolution X-ray diffraction

Published:2014 Issue:24 Volume:16 Page:12228-12236
ISSN:1463-9076
Container-title:Phys. Chem. Chem. Phys.
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Porcher F. F.¹²³⁴⁵,Souhassou M.¹²³⁴⁵,Lecomte C. E. P.¹²³⁴⁵

Affiliation:

1. Université de Lorraine

2. CRM2

3. UMR7036

4. , France

5. CNRS

Abstract

High resolution single crystal X-ray diffraction is used to obtain the electron density and atomic charges in Na–X zeolite. The Coulomb potential and interaction energies are calculated for a given Na⁺ distribution and are discussed in connection with cation site affinities and adsorption of water molecules in the zeolite.

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2014/CP/C3CP55397C

Reference36 articles.

1. Beyond Lattice Models of Activated Transport in Zeolites: High-Temperature Molecular Dynamics of Self-Diffusion and Cooperative Diffusion of Benzene in NaX

2. Adsorption of n-Alkanes in Faujasite Zeolites: Molecular Simulation Study and Experimental Measurements

3. Crystallization of low-solica faujasite ()

4. Gel growth of large crystals of sodium A and sodium X zeolites

Cited by 9 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. In-situ FTIR analysis on conventional and sorption-enhanced methanation (SEM) processes over Ni, Rh, and Ru-based catalyst systems;Applied Catalysis A: General;2024-05

2. Structural Studies of Aluminated form of Zeolites—EXAFS and XRD Experiment, STEM Micrography, and DFT Modelling;Molecules;2021-06-10

3. Multiscale exploration of hydrocarbon adsorption and hopping through ZSM-5 channels – from Monte Carlo modelling to experiment;Physical Chemistry Chemical Physics;2021

4. Electron Density Studies in Materials Research;Chemistry – A European Journal;2019-09-18

5. Acidity and basicity of zeolites: A fundamental approach;Microporous and Mesoporous Materials;2017-12