关于在金属有机框架材料中储存的机制
Jonathan L Belof1, Abraham C Stern, Mohamed Eddaoudi
1Department of Chemistry, University of South Florida, 4202 East Fowler Avenue, CHE205, Tampa, Florida 33620-5250, USA.
Journal of the American Chemical Society
|November 15, 2007
概括
这项研究表明,一种新的金属有机框架 (MOF) 材料实现了高储存密度. 它的离子框架和小通道增强相互作用,使其成为储存应用的有希望的候选者.
科学领域:
- 材料科学 材料科学 材料科学
- 物理化学 物理化学
- 化学工程是化学工程的重要组成部分.
背景情况:
- 储存对于清洁能源技术至关重要.
- 金属有机框架 (MOF) 因其高表面积和可调节的气体储存特性而受到研究.
- 需要具有独特结构特征的新型MOF来提高吸收能力.
研究的目的:
- 在新合成的金属有机框架 (MOF) 中模拟 sorption.
- 了解负责高吸收的物理特征.
- 调查在MOFs中控制物理吸收的主导相互作用.
主要方法:
- 蒙特卡洛模拟被用于模拟吸附.
- 在低温温度和相关压力下对MOF孔内的密度进行分析.
- 识别有吸引力的潜在能量贡献,包括范德瓦尔斯,电荷四极和感应相互作用.
主要成果:
- MOF的吸密度与78K和1.0ATM的液态相似.
- 一个高度离子的框架和狭窄的通道被确定为强相互作用的关键因素.
- 发现极化 (诱导) 效应是对物理吸收的主要贡献,超过了范德瓦尔斯力.
- 模拟了两种不同的二极种群,表明了通过拉曼光谱等技术进行实验差异化的潜力.
结论:
- 研究的MOF由于其独特的结构和电子特性,显示出异常的储能.
- 极化相互作用,由充电的框架和狭窄的孔径显著增强,对于MOF中的高容量物理吸收至关重要.
- 这些发现凸显了MOF作为高效的储存解决方案的非常有前途的材料.
相关概念视频
Hydrogen Bonds
A hydrogen bond is formed when a weakly positive hydrogen atom already bonded to one electronegative atom (for example, the oxygen in the water molecule) is attracted to another electronegative atom from another polar molecule, such as water (H2O), hydrogen fluoride (HF), or ammonia (NH3). The huge electronegativity difference between the H atom (2.1) and the atom to which it is bonded (4.0 for an F atom, 3.5 for an O atom, or 3.0 for an N atom), combined with the very small size of an H atom...
Hydrogen Bonds
Hydrogen BondsHydrogen bonds are weak attractions between atoms that have formed other chemical bonds. One of these atoms is electronegative, like oxygen, and has a partial negative charge. The other is a hydrogen atom that has bonded with another electronegative atom and has a partial positive charge.Hydrogen Bonds Control the World!Because hydrogen has very weak electronegativity when it binds with a strongly electronegative atom, such as oxygen or nitrogen, electrons in the bond are...
Lewis Structures of Molecular Compounds and Polyatomic Ions
To draw Lewis structures for complicated molecules and molecular ions, it is helpful to follow a step-by-step procedure as outlined:
Reduction of Alkenes: Catalytic Hydrogenation
Alkenes undergo reduction by the addition of molecular hydrogen to give alkanes. Because the process generally occurs in the presence of a transition-metal catalyst, the reaction is called catalytic hydrogenation.
Metals like palladium, platinum, and nickel are commonly used in their solid forms — fine powder on an inert surface. As these catalysts remain insoluble in the reaction mixture, they are referred to as heterogeneous catalysts.
The hydrogenation process takes place on the surface of...
Metals like palladium, platinum, and nickel are commonly used in their solid forms — fine powder on an inert surface. As these catalysts remain insoluble in the reaction mixture, they are referred to as heterogeneous catalysts.
The hydrogenation process takes place on the surface of...
Properties of Organometallic Compounds
Organometallic compounds are compounds that contain a carbon–metal bond. Carbon belongs to an organyl group like alkyl, aryl, allyl, or benzyl groups. The metal can be from Group I or Group II of the periodic table, a transition metal, or a semimetal.
Reduction of Alkenes: Asymmetric Catalytic Hydrogenation
Catalytic hydrogenation of alkenes is a transition-metal catalyzed reduction of the double bond using molecular hydrogen to give alkanes. The mode of hydrogen addition follows syn stereochemistry.
The metal catalyst used can be either heterogeneous or homogeneous. When hydrogenation of an alkene generates a chiral center, a pair of enantiomeric products is expected to form. However, an enantiomeric excess of one of the products can be facilitated using an enantioselective reaction or an...
The metal catalyst used can be either heterogeneous or homogeneous. When hydrogenation of an alkene generates a chiral center, a pair of enantiomeric products is expected to form. However, an enantiomeric excess of one of the products can be facilitated using an enantioselective reaction or an...


