A computational study on the templating ability of the trispyrrolidinium cation in the synthesis of ZSM-18 zeolite

被引：49

作者：

Sabater, MJ ^{[1
]}

Sastre, G ^{[1
]}

机构：

[1] Univ Politecn Valencia, CSIC, Inst Tecnol Quim, Valencia 46022, Spain

来源：

CHEMISTRY OF MATERIALS | 2001年 / 13卷 / 12期

关键词：

D O I：

10.1021/cm0110526

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The role of trispyrrolidinium cation as the structure-directing ag ent of the ZSM-18 zeolite structure is explained by a close matching between the template and the zeolite walls. Two template orientations are proposed, and their respective structure-directing abilities are discussed in terms of template-zeolite energetic interactions. The relation of the template orientation and the Al distribution of the ZSM-18 structure is explained, and the preferential substitution of Al in the three-membered rings of ZSM-18 is explained from the results of the calculations, in accordance with the XRD solution of the structure.

引用

页码：4520 / 4526

页数：7

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