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Related Concept Videos

Hydrogen Bonds01:04

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 Bonds00:26

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...
Network Covalent Solids02:18

Network Covalent Solids

Network covalent solids contain a three-dimensional network of covalently bonded atoms as found in the crystal structures of nonmetals like diamond, graphite, silicon, and some covalent compounds, such as silicon dioxide (sand) and silicon carbide (carborundum, the abrasive on sandpaper). Many minerals have networks of covalent bonds.
To break or to melt a covalent network solid, covalent bonds must be broken. Because covalent bonds are relatively strong, covalent network solids are typically...
Covalent Bonding and Lewis Structures02:46

Covalent Bonding and Lewis Structures

Compared to ionic bonds, which results from the transfer of electrons between metallic and nonmetallic atoms, covalent bonds result from the mutual attraction of atoms for a “shared” pair of electrons.
Lewis Structures of Molecular Compounds and Polyatomic Ions02:54

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:
Aldehydes and Ketones with HCN: Cyanohydrin Formation Overview01:32

Aldehydes and Ketones with HCN: Cyanohydrin Formation Overview

Cyanohydrins are compounds that contain –CN and –OH groups on the same carbon atom. They are formed by the nucleophilic addition of the cyanide ions to the carbonyl group. Cyanide ions are highly basic and nucleophilic and can be generated from HCN under aqueous conditions. However, since HCN is a weak acid, the number of cyanide ions generated is very small. Hence, a small amount of base or KCN/NaCN is added to HCN to increase the concentration of the cyanide ions in the reaction mixture.

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Microfluidic-based Synthesis of Covalent Organic Frameworks (COFs): A Tool for Continuous Production of COF Fibers and Direct Printing on a Surface
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Microfluidic-based Synthesis of Covalent Organic Frameworks (COFs): A Tool for Continuous Production of COF Fibers and Direct Printing on a Surface

Published on: July 10, 2017

Covalent organic frameworks as exceptional hydrogen storage materials.

Sang Soo Han1, Hiroyasu Furukawa, Omar M Yaghi

  • 1Materials and Process Simulation Center (139-74), California Institute of Technology, Pasadena, California 91125, USA.

Journal of the American Chemical Society
|August 8, 2008
PubMed
Summary

Covalent organic frameworks (COFs) show excellent potential for hydrogen storage. New simulations predict COF-105 and COF-108 offer superior reversible H2 uptake at cryogenic temperatures.

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Area of Science:

  • Materials Science
  • Computational Chemistry
  • Chemical Engineering

Background:

  • Hydrogen storage is critical for clean energy applications.
  • Covalent organic frameworks (COFs) are promising porous materials for gas storage.
  • Optimizing COF structures for efficient hydrogen uptake is an ongoing research challenge.

Purpose of the Study:

  • To investigate the hydrogen (H2) uptake properties of six covalent organic frameworks (COFs).
  • To identify COF materials with high gravimetric and volumetric H2 storage capacities.
  • To validate computational predictions against available experimental data.

Main Methods:

  • First-principles-based grand canonical Monte Carlo (GCMC) simulations were employed.
  • H2 adsorption isotherms were calculated for six different COF structures.
  • Simulated results were compared with experimental data for COF-5.

Main Results:

  • Simulated H2 uptake for COF-5 closely matched experimental values (3.3 vs 3.4 wt % at 50 bar, 77 K).
  • COF-105 and COF-108 demonstrated exceptional reversible excess H2 uptake (10.0 wt % at 77 K).
  • COF-108 exhibited a total H2 uptake of 18.9 wt %, and COF-102 showed the highest volumetric uptake (40.4 g/L at 77 K).

Conclusions:

  • COF materials are highly promising for practical hydrogen storage applications.
  • COF-105 and COF-108 represent leading candidates for efficient H2 storage at 77 K.
  • Computational simulations provide a reliable method for predicting COF performance in hydrogen storage.