Precise control of density and strength of acid sites of MFI-type zeolite nanoparticles via simultaneous isomorphous substitution by Al and Fe

CrystEngComm ◽  
2020 ◽  
Vol 22 (44) ◽  
pp. 7556-7564
Author(s):  
Mizuho Yabushita ◽  
Hiroki Kobayashi ◽  
Atsushi Neya ◽  
Masafumi Nakaya ◽  
Sachiko Maki ◽  
...  
Keyword(s):  
Acid Sites ◽  
Linear Control ◽  
Isomorphous Substitution ◽  
Zeolite Framework ◽  
Precise Control ◽  
Type Zeolite ◽  
Catalyst Lifetime

The co-incorporation of Al and Fe at various relative ratios into the MFI-type zeolite framework enabled linear control of the density and strength of acid sites, and such well-tuned acidity led to a better catalyst lifetime.

scholarly journals Theoretical Study of Zirconium Isomorphous Substitution into Zeolite Frameworks

Molecules ◽  
2019 ◽  
Vol 24 (24) ◽  
pp. 4466
Author(s):  
Duichun Li ◽  
Bin Xing ◽  
Baojun Wang ◽  
Ruifeng Li
Keyword(s):  
Acid Site ◽  
Density Functional ◽  
Theoretical Study ◽  
Atomic Radius ◽  
Acid Sites ◽  
Isomorphous Substitution ◽  
Dispersion Correction ◽  
Brønsted Acidity ◽  
Functional Theory ◽  
Brönsted Acidity

Systematic periodic density functional theory computations including dispersion correction (DFT-D) were carried out to determine the preferred location site of Zr atoms in sodalite (SOD) and CHA-type topology frameworks, including alumino-phosphate-34 (AlPO-34) and silico-alumino-phosphate-34 (SAPO-34), and to determine the relative stability and Brönsted acidity of Zr-substituted forms of SOD, AlPO-34, and SAPO-34. Mono and multiple Zr atom substitutions were considered. The Zr substitution causes obvious structural distortion because of the larger atomic radius of Zr than that of Si, however, Zr-substituted forms of zeolites are found to be more stable than pristine zeolites. Our results demonstrate that in the most stable configurations, the preferred favorable substitutions of Zr in substituted SOD have Zr located at the neighboring sites of the Al-substituted site. However, in the AlPO-34 and SAPO-34 frameworks, the Zr atoms are more easily distributed in a dispersed form, rather than being centralized. Brönsted acidity of substituted zeolites strongly depends on Zr content. For SOD, substitution of Zr atoms reduces Brönsted acidity. However, for Zr-substituted forms of AlPO-34 and SAPO-34, Brönsted acidity of the Zr-O(H)-Al acid sites are, at first, reduced and, then, the presence of Zr atoms substantially increased Brönsted acidity of the Zr-O(H)-Al acid site. The results in the SAPO-34-Zr indicate that more Zr atoms substantially increase Brönsted acidity of the Si-O(H)-Al acid site. It is suggested that substituted heteroatoms play an important role in regulating and controlling structural stability and Brönsted acidity of zeolites.

Reaction Characteristic of MeAPSO-34 (Me=Mn, Co) Catalysts for Olefins Production from Dimethyl Ether

2012 ◽  
Vol 550-553 ◽  
pp. 416-419
Author(s):  
Young Ho Kim ◽  
Su Gyung Lee ◽  
Eun Jee Kang ◽  
Hyo Sub Kim ◽  
Chu Sik Park
Keyword(s):  
Dimethyl Ether ◽  
Strong Acid ◽  
Acid Sites ◽  
Coke Deposition ◽  
Light Olefins ◽  
Co Catalysts ◽  
Strong Acid Sites ◽  
Reaction Characteristic ◽  
Catalyst Lifetime

In DME to olefins (DTO) reaction, SAPO-34 catalyst with CHA structure is well known to be one of the catalysts with good performance. However, the SAPO-34 catalyst is easily deactivated due to coke deposition during DTO reaction. In this study, MeAPSO-34 catalysts (Me=Mn, Co) were prepared for the increase of the catalyst lifetime and their properties have been characterized by XRD and SEM. The DTO reaction was carried out over the MeAPSO-34 catalysts, and the results were compared with the SAPO-34 catalyst. The lifetime of MeAPSO-34 catalysts with high DME conversion and selectivity of light olefins was prolonged than that of the SAPO-34 catalyst. It may be concluded that the decrease of strong acid sites, which were responsible for the formation of coke, affect on the lifetime of the MeAPSO-34 catalysts. In addition, the CoAPSO-34 catalyst with a Co additive showed the best performance in terms of the catalytic lifetime and the selectivity to light olefins.

A Novel Iron Silicate Mesoporous Material Synthesis and Its Characterization

2018 ◽  
Vol 24 (8) ◽  
pp. 5532-5536
Author(s):  
M. A Mary Thangam ◽  
Chellapandian Kannan
Keyword(s):  
Mesoporous Materials ◽  
Molecular Sieves ◽  
Mesoporous Material ◽  
Synthesis Method ◽  
Acid Sites ◽  
Mesoporous Molecular Sieves ◽  
Isomorphous Substitution ◽  
Main Role ◽  
Material Synthesis ◽  
Ft Ir

The mesoporous materials have variety of applications in several field particularly it has a main role in Catalysis, Petrochemical industries and Adsorption. Normally the porous material has well ordered 3Dimensional structure, huge surface area, high thermal stability and active acid sites. The properties of these materials can be varied because it is mostly depends on its template, synthesis method and isomorphous substitution of metal ions. There are two major mesoporous materials which are aluminosilicate and aluminophosphate. In this present investigation AlCl3 and FeCl3 are used in equal amount for the synthesis of mesoporous material. The synthesized material is characterized by FT-IR, XRD, TGA, BET, EDAX and TPD. Morphological images were studied by SEM. These characterization techniques confirm the formation of mesoporous molecular sieves.

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