Review of Molecular Simulations of Methane Storage in Metal-Organic Frameworks

被引：12

作者：

Lee, Seung-Joon ^{[1
]}

Bae, Youn-Sang ^{[1
]}

机构：

[1] Yonsei Univ, Dept Chem & Biomol Engn, Seoul 120749, South Korea

来源：

JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY | 2016年 / 16卷 / 05期

基金：

新加坡国家研究基金会;

关键词：

Adsorbed Natural Gas (ANG); Adsorbents; Porous Materials; Adsorption; Molecular Modeling; High-Throughput Screening; CARBON-DIOXIDE; NANOPOROUS MATERIALS; HYDROGEN STORAGE; GAS-STORAGE; COORDINATION POLYMER; CURRENT RECORDS; SURFACE-AREA; FORCE-FIELD; ADSORPTION; SEPARATIONS;

D O I：

10.1166/jnn.2016.10974

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Methane storage in porous materials is one of the hot issues because it can replace dangerous high-pressure compressed natural gas (CNG) tanks in natural gas vehicles. Among the diverse adsorbents, metal-organic frameworks (MOFs) are considered to be promising due to their extremely high surface areas and low crystal densities. Molecular simulation has been considered as an important tool for finding an appropriate MOF for methane storage. We review several important roles of molecular modeling for the studies of methane adsorption in MOFs.

引用

页码：4284 / 4290

页数：7

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