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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Autors principals:	Hojatollah Moradi, Hedayat Azizpour, Hamed Hadizadeh Saroghi, Amin Esmaeili, Nariman Rezamandi
Format:	Artigo
Idioma:	Inglês
Publicat:	Elsevier 2023-12-01
Col·lecció:	Applied Surface Science Advances
Matèries:	Adsorption isotherm COMPASS force field 13X zeolite Dynamic simulation Non-framework cation
Accés en línia:	http://www.sciencedirect.com/science/article/pii/S2666523923001563
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