Prediction of water adsorption isotherm on 13X zeolite in different temperatures and investigating the effect of non-framework cations using dynamic simulation

Prediction of water adsorption isotherm on 13X zeolite in different temperatures and investigating the effect of non-framework cations using dynamic simulation

In this article, the adsorption properties of 13X zeolite have been studied using dynamic simulation. The COMPASS force field is used to identify water adsorption isotherm on 13X zeolite. Ewald and Atom-Based group methods were used for the electrostatic and Van der Waals interactions. Li+, Na+, K+,...

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Bibliographic Details
Main Authors: Hojatollah Moradi, Hedayat Azizpour, Hamed Hadizadeh Saroghi, Amin Esmaeili, Nariman Rezamandi
Format: Article
Language:English
Published: Elsevier 2023-12-01
Series:Applied Surface Science Advances
Subjects:
Adsorption isotherm
COMPASS force field
13X zeolite
Dynamic simulation
Non-framework cation
Online Access:http://www.sciencedirect.com/science/article/pii/S2666523923001563

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http://www.sciencedirect.com/science/article/pii/S2666523923001563

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