Understanding the Unusual Adsorption Behavior in Hierarchical Zeolite Nanosheets

被引：25

作者：

Bai, Peng ^{[1
,2
,3
]}

Olson, David H. ^{[4
]}

Tsapatsis, Michael ^{[3
]}

Siepmann, J. Ilja ^{[1
,2
,3
]}

机构：

[1] Univ Minnesota, Dept Chem, Minneapolis, MN 55455 USA

[2] Univ Minnesota, Chem Theory Ctr, Minneapolis, MN 55455 USA

[3] Univ Minnesota, Dept Chem Engn & Mat Sci, Minneapolis, MN 55455 USA

[4] Rutgers State Univ, Dept Chem & Chem Biol, Piscataway, NJ 08854 USA

来源：

CHEMPHYSCHEM | 2014年 / 15卷 / 11期

基金：

美国国家科学基金会;

关键词：

adsorption; molecular modeling; nanosheets; self-pillared pentasils; zeolites; PHASE-EQUILIBRIA; N-ALKANES;

D O I：

10.1002/cphc.201402189

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：

Hierarchical zeolites are advanced materials possessing the catalytic and adsorption properties of conventional zeolites while eliminating their transport limitations through the introduction of mesopores. Recent experiments comparing the adsorption in hierarchical self-pillared pentasils (SPP) and silicalite-1 (MFI) revealed an interesting crossover in sorbate loading for branched or long-chain alkanes but not for shorter linear alkanes, but an explanation for this behavior is not readily available through experimental probes due to the complications arising from the presence of multiple adsorption sites. Here we present a molecular simulation study on the adsorption of alkane isomers and show that a multi-step mechanism, found here for all molecules, is responsible for the observed phenomena.

引用

页码：2225 / 2229

页数：5

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