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Videos de Conceptos Relacionados

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...
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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.
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To draw Lewis structures for complicated molecules and molecular ions, it is helpful to follow a step-by-step procedure as outlined:
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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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Los marcos orgánicos covalentes como materiales de almacenamiento de hidrógeno excepcionales.

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
Resumen

Los marcos orgánicos covalentes (COF) muestran un excelente potencial para el almacenamiento de hidrógeno. Las nuevas simulaciones predicen que el COF-105 y el COF-108 ofrecen una absorción de H2 reversible superior a temperaturas criogénicas.

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Área de la Ciencia:

  • Ciencia de los materiales Ciencia de los materiales.
  • Química computacional es la química computacional.
  • Ingeniería Química Ingeniería Química.

Sus antecedentes:

  • El almacenamiento de hidrógeno es fundamental para las aplicaciones de energía limpia.
  • Los marcos orgánicos covalentes (COF) son materiales porosos prometedores para el almacenamiento de gases.
  • La optimización de las estructuras de COF para una absorción eficiente de hidrógeno es un desafío de investigación en curso.

Objetivo del estudio:

  • Para investigar las propiedades de absorción de hidrógeno (H2) de seis marcos orgánicos covalentes (COF).
  • Para identificar materiales de COF con altas capacidades gravimétricas y volumétricas de almacenamiento de H2.
  • Para validar las predicciones computacionales contra los datos experimentales disponibles.

Principales métodos:

  • Se emplearon simulaciones del Gran Canónico de Monte Carlo (GCMC) basadas en los primeros principios.
  • Se calcularon isotermas de adsorción de H2 para seis estructuras diferentes de COF.
  • Los resultados simulados se compararon con los datos experimentales para COF-5.

Principales resultados:

  • La absorción simulada de H2 para COF-5 coincidió estrechamente con los valores experimentales (3,3 frente a 3,4 por ciento de peso a 50 bar, 77 K).
  • COF-105 y COF-108 demostraron un exceso de absorción de H2 reversible excepcional (10,0 por ciento de peso a 77 K).
  • El COF-108 exhibió una absorción total de H2 de 18,9% en peso, y el COF-102 mostró la mayor absorción volumétrica (40,4 g/L a 77 K).

Conclusiones:

  • Los materiales COF son muy prometedores para aplicaciones prácticas de almacenamiento de hidrógeno.
  • COF-105 y COF-108 representan los principales candidatos para el almacenamiento eficiente de H2 a 77 K.
  • Las simulaciones computacionales proporcionan un método confiable para predecir el rendimiento de COF en el almacenamiento de hidrógeno.