Evidence of a framework induced cation redistribution upon water adsorption in cobalt exchanged X faujasite zeolite: A joint experimental and simulation study

被引：26
|
作者：
Jeffroy, Marie [2 ,3 ,4 ]
Borissenko, Elena [1 ,5 ]
Boutin, Anne [1 ,4 ]
Di Lella, Angela [2 ,3 ]
Porcher, Florence [1 ,5 ,6 ,7 ]
Souhassou, Mohamed [1 ,5 ]
Lecomte, Claude [1 ,5 ]
Fuchs, Alain H.
机构：
[1] CNRS, Vandoeuvre Les Nancy, France
[2] CNRS, Chim Phys Lab, F-91405 Orsay, France
[3] Univ Paris 11, Orsay, France
[4] UPMC, CNRS, Ecole Normale Super, Dept Chim,Lab PASTEUR, Paris, France
[5] Nancy Univ, Vandoeuvre Les Nancy, France
[6] CEA, Lab Leon Brillouin, Gif Sur Yvette, France
[7] CNRS, Gif Sur Yvette, France
来源：
MICROPOROUS AND MESOPOROUS MATERIALS | 2011年 / 138卷 / 1-3期
关键词：
Crystallography; Zeolite; Monte Carlo; Modelisation; MOLECULAR-DYNAMICS SIMULATION; ION-EXCHANGE; RAY-ABSORPTION; FORCE-FIELD; LINDE X; SODIUM; ALKANES; PHASE; MODEL; NAY;
D O I：
10.1016/j.micromeso.2010.09.031
中图分类号：
O69 [应用化学];
学科分类号：
081704 ;
摘要：
We report a joint XRD experiment and Monte Carlo simulation study on partially exchanged faujasite Na,Co-X. It reveals the impact of both framework relaxation and water uptake on cation location and redistribution in cobalt exchanged faujasite zeolite. The combination of molecular simulation in rigid frameworks and experimental measurements allows determining cation locations in partially exchanged zeolites, especially in the difficult case of hydrated sample. It also provides some insight into the ion-exchange mechanisms. (C) 2010 Elsevier Inc. All rights reserved.
引用
收藏
页码：45 / 50
页数：6
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