LOCATION OF NI-2+ IONS IN SILICEOUS MORDENITE - A COMPUTATIONAL APPROACH

被引：34

作者：

DENOUDEN, CJJ ^{[1
]}

JACKSON, RA ^{[1
]}

CATLOW, CRA ^{[1
]}

POST, MFM ^{[1
]}

机构：

[1] UNIV KEELE,DEPT CHEM,KEELE ST5 5BG,STAFFS,ENGLAND

来源：

JOURNAL OF PHYSICAL CHEMISTRY | 1990年 / 94卷 / 13期

关键词：

D O I：

10.1021/j100376a023

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：

Lattice energy minimization calculations are performed to study the location of Ni2+ ions in siliceous mordenite. It is found that Ni2+ does not occupy well-defined extra-framework sites but that its location seems to be related to the occurrence of specific Al-O-(Si-O)N-Al sequences in the siliceous lattice. This study also provides a possible explanation for the limited Ni2+ ion exchange capacity in siliceous zeolites. © 1990 American Chemical Society.

引用

页码：5286 / 5290

页数：5

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