Structure elucidation of alkaline earth impregnated MCM-41 type mesoporous materials obtained by direct synthesis: An experimental and theoretical study

被引：8

作者：

Paz, Gizeuda L. ^{[1
]}

Silva, Francisco das Chagas M. ^{[1
]}

Araujo, Maciel M. ^{[1
]}

Lima, Francisco das Chagas A. ^{[2
]}

Luz, Geraldo E., Jr. ^{[2
]}

机构：

[1] Univ Fed Piaui, Dept Chem, BR-64049550 Teresina, PI, Brazil

[2] Univ Estadual Piaui, Dept Chem, BR-64002150 Teresina, PI, Brazil

来源：

JOURNAL OF MOLECULAR STRUCTURE | 2014年 / 1068卷

关键词：

MCM-41; Alkaline earths; Direct synthesis method; Basic sites; DFT method; INCORPORATED MCM-41; SURFACE-AREA; TRANSESTERIFICATION;

D O I：

10.1016/j.molstruc.2014.03.054

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：

In this work, MCM-41 were synthesized hydrothermally and functionalized with calcium and strontium salts by direct method, using the Si/M = 50 molar ratio, in order to elucidate the way as the alkaline earth is incorporated on MCM-41 molecular sieve. The materials were characterized by X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), Raman spectroscopy, nitrogen adsorption-desorption and theoretical calculations by DFT method. Experimental results and computer simulations showed that the alkaline earths were incorporated on MCM-41 through a complex structure, which negatively influences on basic sites formation. (C) 2014 Elsevier B.V. All rights reserved.

引用

页码：8 / 13

页数：6

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