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Related Concept Videos

Diffusion01:21

Diffusion

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Diffusion is a type of passive transport. In passive transport, a substance tends to move from an area of high concentration to an area of low concentration until the concentration is equal across the space. For example, take the diffusion of substances through the air. When someone opens a perfume bottle in a room filled with people, the perfume is at its highest concentration in the bottle and is at its lowest at the edges of the room. The perfume vapor will diffuse, or spread away, from the...
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Theories of Dissolution: The Danckwerts' Model and Interfacial Barrier Model01:09

Theories of Dissolution: The Danckwerts' Model and Interfacial Barrier Model

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Various dissolution theories provide insight into the factors that influence the dissolution rate. Danckwerts' Model suggests that turbulence, rather than a stagnant layer, characterizes the dissolution medium at the solid-liquid interface. In this model, the agitated solvent contains macroscopic packets that move to the interface via eddy currents, facilitating the absorption and delivery of the drug to the bulk solution. The regular replenishment of solvent packets maintains the...
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Passive Diffusion: Overview and Kinetics01:17

Passive Diffusion: Overview and Kinetics

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Passive diffusion is a critical process that allows small lipophilic drugs to cross the cell membrane along a concentration gradient. This mechanism's efficiency depends on four primary factors: the membrane's surface area, the drug's lipid-water partition coefficient, the concentration gradient, and the membrane's thickness.
When administered orally, drugs establish a substantial concentration gradient between the gastrointestinal (GI) lumen and the bloodstream, expediting...
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Behavior of Gas Molecules: Molecular Diffusion, Mean Free Path, and Effusion03:48

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Although gaseous molecules travel at tremendous speeds (hundreds of meters per second), they collide with other gaseous molecules and travel in many different directions before reaching the desired target. At room temperature, a gaseous molecule will experience billions of collisions per second. The mean free path is the average distance a molecule travels between collisions. The mean free path increases with decreasing pressure; in general, the mean free path for a gaseous molecule will be...
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Theories of Dissolution: Diffusion Layer Model01:15

Theories of Dissolution: Diffusion Layer Model

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Dissolution, the process by which drug particles dissolve in a solvent, is explained by the diffusion layer model, a theoretical framework that simulates the absorption of oral drugs and allows us to analyze experimental data.
This process starts with a thin layer, saturated with the drug, forming at the interface between the solid and liquid. The solute then diffuses from this layer into the main solution. The Noyes-Whitney equation suggests that the rate of dissolution relies on the diffusion...
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Intermolecular Forces03:13

Intermolecular Forces

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Atoms and molecules interact through bonds (or forces): intramolecular and intermolecular. The forces are electrostatic as they arise from interactions (attractive or repulsive) between charged species (permanent, partial, or temporary charges) and exist with varying strengths between ions, polar, nonpolar, and neutral molecules. The different types of intermolecular forces are ion–dipole, dipole–dipole, hydrogen bonds, and dispersion; among these, dipole–dipole, hydrogen...
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Probing the Structure and Dynamics of Interfacial Water with Scanning Tunneling Microscopy and Spectroscopy
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Why Proton Grotthuss Diffusion Slows down at the Air-Water Interface while Water Diffusion Accelerates.

Miguel de la Puente1, Axel Gomez1, Damien Laage1

  • 1Laboratory CPCV, Department of Chemistry, École Normale Supérieure, PSL University, Sorbonne Université, CNRS, 75005 Paris, France.

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Excess proton diffusion slows at the air-water interface, unlike in the bulk. Reduced hydrogen bonding hinders stable proton hops, impacting interfacial chemistry and energy conversion applications.

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Area of Science:

  • Physical Chemistry
  • Surface Science
  • Computational Chemistry

Background:

  • Proton diffusion is vital for electrocatalysis, aerosol chemistry, and biological energy conversion.
  • Interfacial proton transport is less understood than bulk transport, despite proposed channeling roles.

Purpose of the Study:

  • To investigate the impact of the air-water interface on excess proton and water diffusion dynamics.
  • To elucidate the molecular mechanisms governing interfacial proton transport.

Main Methods:

  • Density functional theory-based deep potential molecular dynamics (DFT-DP-MD) simulations.
  • Analysis of hydrogen-bond coordination and diffusion coefficients.

Main Results:

  • Excess proton diffusion is significantly slower at the air-water interface compared to the bulk.
  • Water diffusion is accelerated at the interface due to reduced hydrogen-bond coordination.
  • Proton diffusion at the interface is characterized by transient rattling rather than stable Grotthuss hops.

Conclusions:

  • Interfacial proton and water diffusion occur at comparable rates, contrasting sharply with bulk behavior.
  • Reduced hydrogen-bond coordination at the interface alters proton diffusion mechanisms.
  • Understanding these interfacial dynamics is crucial for optimizing related chemical and biological processes.