Synthesis of FAU and EMT-type zeolites using structure-directing agents specifically designed by molecular modelling

Molecular modelling is a growing science which allows to calculate short range forces between zeolite frameworks and organic compounds. By using a steric approach, it is possible to design templates matching closely with an inorganic framework. Herein, the design, synthesis and successful application of several di(azacrown ether) templates to direct the formation of FAU- and EMT-type zeolites are reported. Following a high throughput experiment design, the synthesis gel composition was optimized to obtain well-crystallized materials. Taking into account their respective crystallization rates, their textural and morphological properties were comparable to their counterparts, typically structured by 15-crown-5 and 18-crown-6 ethers. This work is the first step toward a further design of structure- and shape-directing templates, in order to control the properties of FAU- and EMT-type zeolites aiming specific catalytic and separation applications. (C) 2013 Elsevier Inc. All rights reserved.