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Step-By-Step Modeling and Demetallation Experimental Study on the Porous Structure in Zeolites

Authors :
Pavel Kononov
Irina Kononova
Vyacheslav Moshnikov
Evgeniya Maraeva
Olga Trubetskaya
Source :
Molecules, Vol 27, Iss 23, p 8156 (2022)
Publication Year :
2022
Publisher :
MDPI AG, 2022.

Abstract

The organization of microporous space in zeolites is discussed. A new step-by-step model is proposed that explains the principles of organizing the hierarchy of microporous space at the stage of assembling zeolites from elements of minimal size: a primary building unit, secondary building units, tertiary building units or building polyhedra, a sodalite cage, and a supercage. To illustrate the stepwise hierarchical porous structure of nanomaterials, the following zeolites with small and large micropores have been selected as the model objects: sodalite (SOD, the maximum diameter of a sphere that can enter the pores is 0.3 nm) and zeolites of type A (LTA, the maximum diameter of a sphere that can enter the pores is 0.41 nm), type X, Y (FAU, the maximum diameter of a sphere that can enter the pores is 0.75 nm), and type BETA (the maximum diameter of a sphere that can enter the pores is 0.67 nm). Two-dimensional and three-dimensional modeling in 3Ds Max software was used. We believe that such an approach will be useful for developing ways to create complex zeolite compositions for specific applications, such as catalysis, where the geometry of the pores determines the size of the molecules entering the voids and computer modeling can play an important predictive role. This work takes a look at specific aspects of using the heat desorption method to study mesoporous materials with a BETA zeolite as an example and presents the results of experimental research into the characteristics of the porous structure of hierarchically structured zeolite materials (specific surface area 180–380 m2/g, external surface area 120–200 m2/g, micropore volume 0.001–0.1 mL/g).

Details

Language :
English
ISSN :
27238156 and 14203049
Volume :
27
Issue :
23
Database :
Directory of Open Access Journals
Journal :
Molecules
Publication Type :
Academic Journal
Accession number :
edsdoj.f57ab072123a4c74b7ed4ba8d44d0a04
Document Type :
article
Full Text :
https://doi.org/10.3390/molecules27238156