Adsorption of water in Na-LTA zeolites: an ab initio molecular dynamics investigation-Reference-Cited by-同舟云学术

Adsorption of water in Na-LTA zeolites: an ab initio molecular dynamics investigation

Published:2021 Issue:34 Volume:23 Page:19032-19042
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Randrianandraina Joharimanitra¹^ORCID,Badawi Michael²^ORCID,Cardey Bruno¹^ORCID,Grivet Manuel¹,Groetz Jean-Emmanuel¹,Ramseyer Christophe¹,Anzola Freddy Torrealba¹,Chambelland Caroline³,Ducret Didier³

Affiliation:

1. Laboratoire Chrono-Environnement UMR 6249, Université de Bourgogne Franche-Comté, 16 route de Gray, F-25030 Besançon Cedex, France

2. Laboratoire Physique et Chimie Théoriques, UMR 7019, CNRS, Université de Lorraine, F-54000, Nancy, France

3. CEA, Centre d'études de Valduc, F-21120 Is-sur-Tille, France

Abstract

The very wide range of applications of LTA zeolites, including the storage of tritiated water, implies that a detailed and accurate atomic-scale description of the adsorption processes taking place in their structure is crucial.

Funder

Grand Équipement National De Calcul Intensif

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2021/CP/D1CP02624K

Reference70 articles.

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2. Propane/Propylene Separation by Pressure Swing Adsorption Using Zeolite 4A

3. Adsorption Kinetics of Propane and Propylene in Zeolite 4A

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