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Volume 17
Issue 13
10.3390/ma17133065
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This is an early access version, the complete PDF, HTML, and XML versions will be available soon.
Article

Parametric Modelling of the Crystalline Microstructure of the MCM41-Type Mesoporous Silica Modified with Derivatives of Alkyls

by
Jarosław Stocki
1,*,
Marcin Kuśmierz
2,
Weronika Sofińska-Chmiel
2,
Marek Stankevič
3,
Marcin Puchała
1,
Marek A. Kojdecki
4,
Robert Gąska
1 and
Henryk Grajek
1
1
Faculty of Advanced Technologies and Chemistry, Military University of Technology, 00-908 Warsaw, Poland
2
Analytical Laboratory, Institute of Chemical Sciences, Faculty of Chemistry, Maria Curie Skłodowska University in Lublin, 20-031 Lublin, Poland
3
Department of Organic Chemistry and Crystallochemistry, Institute of Chemical Sciences, Faculty of Chemistry, Maria Curie-Skłodowska University in Lublin, 20-614 Lublin, Poland
4
Institute of Mathematics and Cryptology, Military University of Technology, 00-908 Warsaw, Poland
*
Author to whom correspondence should be addressed.
Materials 2024, 17(13), 3065; https://doi.org/10.3390/ma17133065
Submission received: 20 May 2024 / Revised: 17 June 2024 / Accepted: 18 June 2024 / Published: 21 June 2024
(This article belongs to the Topic Mathematical Modeling of Complex Granular Systems)
Versions Notes

Abstract

A siliceous material in which a framework order was established with a surfactant with sixteen carbon atoms in alkyl chains, MCM-41-C16, was synthesised, surface-modified, and tested regarding the selected physical properties. The pristine material was extracted in an acidic aqueous alcohol and then lined with different surface groups. The properties of four adsorbents were investigated using XRD, X-ray photoelectron spectroscopy, and N2 physisorption techniques. The unit–cell constant was determined from X-ray diffractograms, being in fixed relation to the edge length of the hexagonal frame. The specific surface areas of mesopores and whole crystallites were determined from low-temperature N2-physisorption isotherms. The novelty of this work is a mathematical model of a crystalline microstructure explaining the sizes and shapes of crystalline grains in relation to adsorption features, proposed and successfully tested with the aforementioned experimental data. The roughness of the surface is different from one that is necessary to explain the experimental characteristics quantitatively.
Keywords: siliceous mesoporous adsorbents; immobilized guest structures; crystalline microstructure; inverse problems siliceous mesoporous adsorbents; immobilized guest structures; crystalline microstructure; inverse problems

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MDPI and ACS Style

Stocki, J.; Kuśmierz, M.; Sofińska-Chmiel, W.; Stankevič, M.; Puchała, M.; Kojdecki, M.A.; Gąska, R.; Grajek, H. Parametric Modelling of the Crystalline Microstructure of the MCM41-Type Mesoporous Silica Modified with Derivatives of Alkyls. Materials 2024, 17, 3065. https://doi.org/10.3390/ma17133065

AMA Style

Stocki J, Kuśmierz M, Sofińska-Chmiel W, Stankevič M, Puchała M, Kojdecki MA, Gąska R, Grajek H. Parametric Modelling of the Crystalline Microstructure of the MCM41-Type Mesoporous Silica Modified with Derivatives of Alkyls. Materials. 2024; 17(13):3065. https://doi.org/10.3390/ma17133065

Chicago/Turabian Style

Stocki, Jarosław, Marcin Kuśmierz, Weronika Sofińska-Chmiel, Marek Stankevič, Marcin Puchała, Marek A. Kojdecki, Robert Gąska, and Henryk Grajek. 2024. "Parametric Modelling of the Crystalline Microstructure of the MCM41-Type Mesoporous Silica Modified with Derivatives of Alkyls" Materials 17, no. 13: 3065. https://doi.org/10.3390/ma17133065

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