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Hydrogen Bonds00:26

Hydrogen Bonds

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Hydrogen 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 unequally shared....
131.7K
Hydrogen Bonds01:04

Hydrogen Bonds

13.4K
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...
13.4K
Reduction of Alkenes: Catalytic Hydrogenation02:13

Reduction of Alkenes: Catalytic Hydrogenation

14.0K
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...
14.0K
Body Temperature01:07

Body Temperature

1.4K
Body temperature reflects the equilibrium between heat production and heat loss within the body. Most heat is generated by metabolically active tissues, particularly the liver, heart, brain, kidneys, and endocrine organs. At rest, skeletal muscles contribute 20–30% of total heat production, but during vigorous exercise, this can increase up to 30–40 times.
The average body temperature is approximately 37°C (98.6°F) and typically ranges from 36.1–37.2°C...
1.4K
Body Temperature01:25

Body Temperature

4.1K
The body's temperature, measured in degrees, is determined by the balance between heat production and dissipation to the surrounding environment. For instance, if exercising vigorously, the body will produce more heat, causing sweat and dissipating that heat. Despite extreme environmental conditions and physical exertion, the human temperature-control system maintains a constant core body temperature (the temperature of deep tissues, which are the tissues located beneath the skin and other...
4.1K
Reduction of Benzene to Cyclohexane: Catalytic Hydrogenation01:28

Reduction of Benzene to Cyclohexane: Catalytic Hydrogenation

5.7K
Unlike the easy catalytic hydrogenation of an alkene double bond, hydrogenation of a benzene double bond under similar reaction conditions does not take place easily. For example, in the reduction of stilbene, the benzene ring remains unaffected while the alkene bond gets reduced. Hydrogenation of an alkene double bond is exothermic and a favorable process. In contrast, to hydrogenate the first unsaturated bond of benzene, an energy input is needed; that is, the process is endothermic. This is...
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Thermodynamics, EOS, and heat capacity in molecular modeling of self-assembled molecular layers.

The Journal of chemical physicsยท2020
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Updated: Jan 22, 2026

Author Spotlight: Simulation and Analysis of the Temperature Rise of Ring Main Unit Equipment
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Low-temperature hydrogen-graphite system revisited: Experimental study and Monte Carlo simulation.

Eugene Ustinov1, Hideki Tanaka2, Minoru Miyahara3

  • 1Ioffe Institute, 26 Polytechnicheskaya, St. Petersburg 194021, Russian Federation.

The Journal of Chemical Physics
|July 15, 2019
PubMed
Summary
This summary is machine-generated.

Accurate hydrogen adsorption data on graphite was experimentally determined. This provides a reliable foundation for simulating hydrogen storage in nanoporous carbons using kinetic Monte Carlo methods.

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Area of Science:

  • Materials Science
  • Physical Chemistry
  • Chemical Engineering

Background:

  • Hydrogen adsorption in microporous materials is crucial for hydrogen storage.
  • Molecular simulations are widely used but often lack reliability due to poor reference data.
  • Accurate fluid-solid potential parameters are needed for dependable simulation results.

Purpose of the Study:

  • To experimentally investigate hydrogen adsorption on graphite.
  • To model the hydrogen-graphite system using kinetic Monte Carlo (KMC) simulations.
  • To establish a reliable basis for simulating hydrogen adsorption in nanoporous carbons.

Main Methods:

  • Experimental measurement of hydrogen adsorption isotherms on graphite.
  • Kinetic Monte Carlo (KMC) simulations of the hydrogen-graphite system.
  • Fitting experimental data using a temperature-dependent Lennard-Jones potential (10-6) to account for quantum effects.

Main Results:

  • The 10-6 Lennard-Jones potential with temperature-dependent parameters accurately describes the bulk hydrogen equation of state, incorporating quantum effects.
  • Experimental hydrogen adsorption isotherms on graphite were fitted with high accuracy.
  • A robust kernel was generated for subsequent simulations and pore size distribution analysis.

Conclusions:

  • This study provides high-accuracy experimental data for the hydrogen-graphite system.
  • The developed modeling approach offers a reliable method for simulating hydrogen adsorption in nanoporous materials.
  • The findings support advancements in hydrogen storage technologies through improved simulation accuracy.