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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...
Ionic Compounds: Formulas and Nomenclature03:34

Ionic Compounds: Formulas and Nomenclature

An element composed of atoms that readily lose electrons (a metal) can react with an element composed of atoms that readily gain electrons (a nonmetal) to produce ions through complete electron transfer. The compound formed by this transfer is stabilized by the electrostatic attractions (ionic bonds) between the oppositely charged ions.
Aldehydes and Ketones with Water: Hydrate Formation01:20

Aldehydes and Ketones with Water: Hydrate Formation

An oxygen-based nucleophile, like water, can undergo addition reactions with aldehydes and ketones. The reaction leads to the formation of hydrates, also referred to as 1,1-diols or geminal diols.
The formation of hydrates is a reversible reaction. Hydrate formation is influenced by steric and electronic factors accompanying the alkyl substituents on the carbonyl group: The rate of hydrate formation increases with a decrease in the number of alkyl groups attached to the carbonyl carbon. Hence,...
Reduction of Alkenes: Catalytic Hydrogenation02:13

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...
Entropy and Solvation02:05

Entropy and Solvation

The process of surrounding a solute with solvent is called solvation. It involves evenly distributing the solute within the solvent. The rule of thumb for determining a solvent for a given compound is that like dissolves like. A good solvent has molecular characteristics similar to those of the compound to be dissolved. For example, polar solutions dissolve polar solutes, and apolar solvents dissolve apolar solutes. A polar solvent is a solvent that has a high dielectric constant (ϵ ≥ 15); an...

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Methane Hydrate Crystallization on Sessile Water Droplets
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Published on: May 26, 2021

Hydrogen storage in clathrate hydrates.

Pratim Kumar Chattaraj1, Sateesh Bandaru, Sukanta Mondal

  • 1Department of Chemistry and Center for Theoretical Studies, Indian Institute of Technology, Kharagpur 721302, India. pkc@chem.iitkgp.ernet.in

The Journal of Physical Chemistry. A
|December 16, 2010
PubMed
Summary

Clathrate hydrates can effectively store hydrogen (H2) by trapping molecules within their cage structures. Computational studies show larger cages can hold more hydrogen, indicating potential for efficient hydrogen storage materials.

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Area of Science:

  • Computational chemistry
  • Materials science
  • Physical chemistry

Background:

  • Clathrate hydrates are crystalline solids composed of water molecules forming cage-like structures.
  • Hydrogen encapsulation within these cages is a potential avenue for hydrogen storage applications.
  • Understanding the factors governing hydrogen encapsulation is crucial for material design.

Purpose of the Study:

  • To investigate the structure, stability, and reactivity of clathrate hydrates with encapsulated hydrogen.
  • To elucidate the principles behind hydrogen storage properties using conceptual density functional theory.
  • To compute thermodynamic quantities related to hydrogen trapping.

Main Methods:

  • Standard density functional calculations were employed.
  • Conceptual density functional theory (DFT) was used to derive reactivity descriptors.
  • Electronic structure principles were applied to analyze hydrogen storage capabilities.

Main Results:

  • The stability of hydrogen-clathrate hydrate complexes increases with additional hydrogen molecules.
  • The capacity for hydrogen encapsulation is dependent on the size and shape of the clathrate cages.
  • Specific clathrate structures (5(12)6(2) and 5(12)6(8)) showed significant hydrogen accommodation capacities.
  • Adsorption and desorption rates suggest suitability as a hydrogen storage material.

Conclusions:

  • Clathrate hydrates exhibit promising characteristics for hydrogen storage.
  • Cage size and shape are critical determinants of hydrogen encapsulation efficiency.
  • The studied clathrate hydrate systems demonstrate favorable kinetics for hydrogen storage applications.