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The ADOR synthesis of new zeolites: In silico investigation

Paper ID Volume ID Publish Year Pages File Format Full-Text
54353 47007 2015 7 PDF Available
Title
The ADOR synthesis of new zeolites: In silico investigation
Abstract

•New zeolite structures based on the ADOR process are reported.•The relationship between structure and synthesis feasibility is discussed.•The synthesis feasibility is classified using various approaches based on framework energies, feasibility factors and LID criteria.

Recently, a new strategy for the zeolite synthesis was proposed and successfully applied for several systems. This strategy, called ADOR (assembly–disassembly–organization–reassembly), can lead to synthesis of many new materials with defined structure and porosity. Proposed hypothetical structures of the UTL, IWW, IWV, IWR, ITH and ITR families are investigated using empirical and DFT calculations with focus on the relationship between their structure and target synthesis feasibility.

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Keywords
ADOR; DFT calculations; Zeolites; Synthesis
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Publisher
Database: Elsevier - ScienceDirect
Journal: Catalysis Today - Volume 243, 1 April 2015, Pages 32–38
Authors
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Subjects
Physical Sciences and Engineering Chemical Engineering Catalysis
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Price was $35.95
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