| Molecular simulation and experimental studies of a mesoporous ZSM-5 type molecular sieve. | |
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MedLine Citation:
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PMID: 23322174 Owner: NLM Status: Publisher |
Abstract/OtherAbstract:
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The mesoporous zeolite is a novel porous material possessing mesopores as well as the inherent micropores of zeolites. This material can exhibit the dual merits of two different pore structures and enable zeolites to have maximum structural functions. During the past few decades, various synthetic strategies have been well developed. However, up to now, there has only been a few attempts to model mesoporous zeolites. In this paper, the structural properties of a mesoporous ZSM-5 type molecular sieve, which has mesopore walls that are made up of ZSM-5 zeolite-like frameworks, were studied using an atomistic model. The full-atom model of the mesoporous ZSM-5 type molecular sieve was constructed using a molecular modeling technique. The structure model was characterized by estimating the nitrogen accessible solvent surface area, small-angle and wide-angle X-ray diffraction patterns, toluene and benzene adsorption. It was found that these simulated results match well with the experimental data. Furthermore, the present approach can be extended to construct other micro-mesoporous molecular sieve structure models in the future. |
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Authors:
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Baoyu Liu; Yongbiao Wu; Defei Liu; Ying Wu; Hongxia Xi; Yu Qian |
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Publication Detail:
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Type: JOURNAL ARTICLE Date: 2013-1-16 |
Journal Detail:
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Title: Physical chemistry chemical physics : PCCP Volume: - ISSN: 1463-9084 ISO Abbreviation: Phys Chem Chem Phys Publication Date: 2013 Jan |
Date Detail:
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Created Date: 2013-1-16 Completed Date: - Revised Date: - |
Medline Journal Info:
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Nlm Unique ID: 100888160 Medline TA: Phys Chem Chem Phys Country: - |
Other Details:
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Languages: ENG Pagination: - Citation Subset: - |
Affiliation:
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School of Chemistry and Chemical Engineering, South China University of Technology, Guangzhou, Guangdong 510640, P. R. China. liubaoyu084@163.com cehxxi@scut.edu.cn. |
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From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine
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