Catalysis Today, Vol.243, 32-38, 2015
The ADOR synthesis of new zeolites: In silico investigation
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. (C) 2014 Elsevier B.V. All rights reserved.