The ADOR synthesis of new zeolites: In silico investigation

•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...

Full description

Saved in:
Bibliographic Details
Published inCatalysis today Vol. 243; pp. 32 - 38
Main Authors Trachta, Michal, Nachtigall, Petr, Bludský, Ota
Format Journal Article
LanguageEnglish
Published Elsevier B.V 01.04.2015
Subjects
ADOR
DFT calculations
Synthesis
Zeolites
ADOR
Synthesis
Zeolites
DFT calculations
Online AccessGet full text

Cover

More Information
Summary:•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.
ISSN:0920-5861
1873-4308
DOI:10.1016/j.cattod.2014.07.041