Fractal dimension of active-site models of zeolite catalysts

被引：8

作者：

Torrens, Francisco ^{[1
]}

Castellano, Gloria ^{[2
,3
]}

机构：

[1] Univ Valencia, Inst Univ Ciencia Mol, Valencia 46071, Spain

[2] Univ Politecn Valencia, Dept Quim, Valencia 46022, Spain

[3] Univ Cattolica Valencia San Vicente Martir, Dept Ciencias Expt, Fac Ciencias Expt, Valencia 46003, Spain

来源：

JOURNAL OF NANOMATERIALS | 2006年 / 2006卷

关键词：

D O I：

10.1155/JNM/2006/17052

中图分类号：

TB3 [工程材料学];

学科分类号：

0805 ; 080502 ;

摘要：

A method for the calculation of fractal surfaces of crystals is presented. The fractal dimension D of fragments of zeolites is calculated. Results compare well with reference calculations (GEPOL). The active site of Bronsted acid zeolites is modeled by a set of Al-OH-Si units. These units form 2-12-membered rings. Topological indices for the different active-site models are calculated. The comparison between GEPOL and SURMO2 allows calculating the active-site indices. Most cavities show no fractal character, while for the 6-8-unit rings, D lies in the range 4.0-4.3. The 6-ring shows the greatest D and is expected to be the most reactive. Copyright (c) 2006.

引用

页码：1 / 9

页数：9

共 27 条

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