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Rational Design and Targeted Synthesis of Small-Pore Zeolites with the Assistance of Molecular Modeling, Structural Analysis, and Synthetic Chemistry

Dan Xie
- 03 Nov 2021 - 
- Vol. 60, Iss: 43, pp 15403-15415
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This article is published in Industrial & Engineering Chemistry Research.The article was published on 2021-11-03 and is currently open access. It has received 5 citations till now. The article focuses on the topics: Rational design.

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Journal ArticleDOI

Structure Elucidation and Computationally Guided Synthesis of SSZ‐43: A One‐Dimensional 12‐Ring Zeolite with Unique Sinusoidal Channels

TL;DR: The structure of zeolite SSZ-43 was determined by 3D electron diffraction, synchrotron X-ray powder diffraction and high-resolution transmission electron microscopy as mentioned in this paper .
OtherDOI

1The Confluence of Organo‐Cations, Inorganic Species, and Molecular Modeling on the Discovery of New Zeolite Structures and Compositions

TL;DR: The use of organics in the synthesis gel creates additional opportunities for directing a specific zeolite structure, templating, space filling, and charge compensation, and the enormous variety of shapes and sizes of these organics can be both daunting and exciting as mentioned in this paper .
OtherDOI

1Co‐templating in the Designed Synthesis of Small‐pore Zeolite Catalysts

TL;DR: The potential of computational modeling in the design of organic structure directing agents (OSDAs) for target small-pore zeolites was demonstrated some three decades ago by the use of the ZEBEDDE program for an aluminophosphate zeotype with the CHA topology as discussed by the authors .
Journal ArticleDOI

Structure Elucidation and Computationally Guided Synthesis of SSZ‐43: A One‐Dimensional 12‐Ring Zeolite with Unique Sinusoidal Channels

TL;DR: The structure of zeolite SSZ-43 was determined by 3D electron diffraction, synchrotron X-ray powder diffraction and high-resolution transmission electron microscopy as discussed by the authors .
Journal ArticleDOI

Synthesis and crystal structure of a new RTH-type precursor and its interlayer expanded zeolite.

TL;DR: In this paper , a new layer silicate zeolite L was synthesized using the N, N-dimethyl-(2-methyl)-benzimidazolium as the structure-directing agent (SDA) under fluoride condition.
References
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Patent

Novel microporous crystalline material comprising a molecular sieve or zeolite having an 8-ring pore opening structure and methods of making and using same

TL;DR: In this paper, the authors disclosed a hydrothermally stable microporous crystalline material comprising a molecular sieve or zeolite having an 8-ring pore opening structure.
Journal ArticleDOI

Computational prediction of chemically synthesizable organic structure directing agents for zeolites

TL;DR: In this paper, a computational procedure is described to predict chemically synthesizable organic structure directing agents (OSDAs) for zeolites, which can be used to search for novel, perhaps cheaper or more effective, OSDAs to synthesize known Zeolites.
Journal ArticleDOI

Building Zeolites from Precrystallized Units: Nanoscale Architecture.

TL;DR: This Review highlights how the presence of some crystalline fragments in the synthesis media, such as small secondary building units (SBUs) or layered substructures, not only favors the crystallization of other zeolites with similar SBUs or layers, but also permits control over important parameters affecting their catalytic activity.
Journal ArticleDOI

Synthesis and characterization of ERI-type UZM-12 zeolites and their methanol-to-olefin performance.

TL;DR: The catalytic results from the methanol-to-olefin reaction over a series of H-UZM-12 zeolites with similar acidic properties but different crystallite sizes demonstrate that the nanocrystallinity may have a detrimental effect on the activity and stability for this reaction, probably due to the fast buildup of large coke molecules on the external surface of zeolite crystallites.
Journal ArticleDOI

Cage-based small-pore catalysts for NH3-SCR prepared by combining bulky organic structure directing agents with modified zeolites as reagents

TL;DR: In this article, a dicationic and rigid organic structure directing agent (OSDA) was used to fit within the large cavities of high-silica ERI and AFX zeolites and showed good activity for the selective catalytic reduction (SCR) of nitrogen oxide using ammonia.