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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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Book ChapterDOI

Synthesis and catalytic activity of UZM-12

TL;DR: UZM-12 is a microporous crystalline aluminosilicate with ERI topology synthesized via the Charge Density Mismatch approach as discussed by the authors, which can yield Si/Al > 5.5 and nano-to-micron-sized crystallites of spherical, plate or rod morphology depending on crystallization template, K + /Al ratio and synthesis conditions.
Book ChapterDOI

Computer Modelling of Sorbates and Templates in Microporous Materials

TL;DR: A combination of computer modelling techniques has been applied in two areas: (1) a survey of the ability of organic molecules to template microporous materials; and (2) a study of the behavior of the sorption and diffusion of the various isomers of butene in the catalyst DAF-1 as discussed by the authors.
Journal ArticleDOI

STA-20: An ABC-6 Zeotype Structure Prepared by Co-Templating and Solved via a Hypothetical Structure Database and STEM-ADF Imaging

TL;DR: In this article, a microporous silicoaluminophosphate with a novel topology type, STA-20, has been prepared via a dual templating method using hexamethylene bisdiazabicyclooctane (diDABCO-C6) and trimethylamine as cotemplates.
BookDOI

Zeolites in Sustainable Chemistry

TL;DR: In this article, the authors present new strategies for synthesizing zeolites and sustainable routes for zeolite synthesis, and present emerging applications of environmentally friendly Zeolites in the selective catalytic reduction of nitrogen oxides.
Journal ArticleDOI

Retrosynthetic Co-Templating Method for the Preparation of Silicoaluminophosphate Molecular Sieves

TL;DR: A retrosynthetic method has been developed to design the synthesis of target zeotypes whose frameworks belong to the ABC-6 structural family and which contain gme cages, which permits the preparation of silicoaluminophosphate versions of AFX, SFW, and GME topology types.