Journal of the American Chemical Society

A priori phase prediction of zeolites: case study of the structure-directing effects in the synthesis of MTT-type zeolites

AW Burton

文献索引：Burton, Allen W. Journal of the American Chemical Society, 2007 , vol. 129, # 24 p. 7627 - 7637

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被引用次数: 31

摘要

This study first uses molecular modeling to examine the structure-directing effects of small amines that are selective for the crystallization of MTT-type zeolite phases. The optimized van der Waals interactions of these small amines are compared within the one-dimensional pore zeolites with the MTT, TON, and MTW frameworks. From these results and our previous molecular modeling studies of structure-directing agents (SDA) for MTT-type zeolites, a ...