具有最佳分子动力学和孔径几何学的多面体金属
Yong Yan1, Daniil I Kolokolov2,3, Ivan da Silva4
1School of Chemistry, University of Manchester , Oxford Road, Manchester, M13 9PL, United Kingdom.
Journal of the American Chemical Society
|August 4, 2017
概括
新的金属有机框架 (MOF) 显示出用于移动应用的高甲储存能力. MFM-115a表现出卓越的产能,由最佳孔径和结合点驱动.
科学领域:
- 材料科学
- 化学学
- 能量储存
背景情况:
- 天然气 (甲) 是移动应用的一个有前途的能源载体.
- 为了开发有效的储存介质,最大限度地提高甲储存能力至关重要.
- 金属有机框架 (MOF) 提供可调节的多孔结构来储存气体.
研究的目的:
- 研究一系列同结构MOF (MFM-112a,MFM-115a,MFM-132a) 中的甲储存特性.
- 将连接器功能与甲吸收和可交付能力相关联.
- 阐明MOF中的客宿主相互作用和分子动态.
主要方法:
- 具有不同链接功能的同结构MOF的合成.
- 在室温下测量高压甲吸附.
- 固态2H核磁共振光谱用于研究分子动力学.
- 在现场中子粉衍射以确定CD4结合点.
主要成果:
- 在80bar时,MFM-112a和MFM-115a的CH4吸收量高 (分别为236和256cm3 (STP) cm-3).
- MFM-115a实现了5到80bar之间的208v/v的可输出CH4容量.
- 核磁共振和中子衍射揭示了分子旋转器,并在紧密的腔内确定了主要结合点,其性能优于开放的金属点.
结论:
- 研究的MOF表现出极好的甲储存能力,其中MFM-115a表现最好.
- 紧密的空洞和有利的结合点是强大的气体亲和力的关键.
- 最佳的分子动力学,孔径几何和结合点共同决定了甲吸收性能.
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