Jove
Visualize
Contact Us
JoVE
x logofacebook logolinkedin logoyoutube logo
ABOUT JoVE
OverviewLeadershipBlogJoVE Help Center
AUTHORS
Publishing ProcessEditorial BoardScope & PoliciesPeer ReviewFAQSubmit
LIBRARIANS
TestimonialsSubscriptionsAccessResourcesLibrary Advisory BoardFAQ
RESEARCH
JoVE JournalMethods CollectionsJoVE Encyclopedia of ExperimentsArchive
EDUCATION
JoVE CoreJoVE BusinessJoVE Science EducationJoVE Lab ManualFaculty Resource CenterFaculty Site
Terms & Conditions of Use
Privacy Policy
Policies

Related Concept Videos

Theories of Dissolution: The Danckwerts' Model and Interfacial Barrier Model01:09

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

475
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...
475
Theories of Dissolution: Diffusion Layer Model01:15

Theories of Dissolution: Diffusion Layer Model

994
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...
994
Intermolecular Forces in Solutions02:28

Intermolecular Forces in Solutions

35.0K
The formation of a solution is an example of a spontaneous process, a process that occurs under specified conditions without energy from some external source.
When the strengths of the intermolecular forces of attraction between solute and solvent species in a solution are no different than those present in the separated components, the solution is formed with no accompanying energy change. Such a solution is called an ideal solution. A mixture of ideal gases (or gases such as helium and argon,...
35.0K
Common Ion Effect03:24

Common Ion Effect

42.5K
Compared with pure water, the solubility of an ionic compound is less in aqueous solutions containing a common ion (one also produced by dissolution of the ionic compound). This is an example of a phenomenon known as the common ion effect, which is a consequence of the law of mass action that may be explained using Le Châtelier’s principle. Consider the dissolution of silver iodide:
42.5K
Chemical Equilibria: Systematic Approach to Equilibrium Calculations01:21

Chemical Equilibria: Systematic Approach to Equilibrium Calculations

939
Equilibrium calculations for systems involving multiple equilibria are often complex. For example, to calculate the solubility of a sparingly soluble salt in an aqueous solution in the presence of a common ion, one must consider all the equilibria in this solution. Calculations for these systems can be complicated and tedious, so a systematic approach with a series of steps is often helpful. The process is detailed below.
The first step is to identify all the chemical reactions involved, The...
939
Molecular Models02:00

Molecular Models

41.0K
Physical models representing molecular architectures of chemical compounds play essential roles in understanding chemistry. The use of molecular models makes it easier to visualize the structures and shapes of atoms and molecules.
41.0K

You might also read

Related Articles

Articles linked to this work by shared authors, journal, and citation graph.

Sort by
Same author

Unraveling the sodium storage mechanism in a redox-active covalent organic framework cathode for Na-metal batteries.

Journal of materials chemistry. A·2026
Same author

Impact of Li<sup>+</sup>/Na<sup>+</sup> Substitution in the Local Ion Dynamics and Electrochemical Performance of A<sub>3</sub>V(PO<sub>3</sub>)<sub>3</sub>N (A = Li, Na) Nitridophosphates.

Inorganic chemistry·2025
Same author

Probing Phase Formation and Structural Transformations in Sodium Extraction and Insertion of NaFe<sub>1-</sub>Mn<sub></sub>PO<sub>4</sub> through First-Principles Calculations.

Inorganic chemistry·2024
Same author

Interface Stability and Reaction Mechanisms of Li<sub>3</sub>YCl<sub>5</sub>Br with High-Voltage Cathodes and Li Metal Anode: Insights from Ab Initio Simulations.

ACS applied materials & interfaces·2024
Same author

A theoretical perspective on solid-state ionic interfaces.

Philosophical transactions. Series A, Mathematical, physical, and engineering sciences·2024
Same author

Materials Acceleration Platforms (MAPs): Accelerating Materials Research and Development to Meet Urgent Societal Challenges.

Advanced materials (Deerfield Beach, Fla.)·2024

Related Experiment Video

Updated: Sep 24, 2025

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
10:52

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics

Published on: April 12, 2019

13.0K

Modeling magnesium surfaces and their dissolution in an aqueous environment using an implicit solvent model.

Alex Aziz1, Javier Carrasco1

  • 1Centre for Cooperative Research on Alternative Energies (CIC energiGUNE), Basque Research and Technology Alliance (BRTA), Alava Technology Park, Albert Einstein 48, 01510 Vitoria-Gasteiz, Spain.

The Journal of Chemical Physics
|May 7, 2022
PubMed
Summary
This summary is machine-generated.

This study uses computational methods to understand magnesium

More Related Videos

Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package
06:37

Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package

Published on: September 17, 2021

4.6K
Fluid-cell Raman Spectroscopy for operando Studies of Reaction and Transport Phenomena during Silicate Glass Corrosion
06:48

Fluid-cell Raman Spectroscopy for operando Studies of Reaction and Transport Phenomena during Silicate Glass Corrosion

Published on: May 9, 2025

635

Related Experiment Videos

Last Updated: Sep 24, 2025

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
10:52

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics

Published on: April 12, 2019

13.0K
Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package
06:37

Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package

Published on: September 17, 2021

4.6K
Fluid-cell Raman Spectroscopy for operando Studies of Reaction and Transport Phenomena during Silicate Glass Corrosion
06:48

Fluid-cell Raman Spectroscopy for operando Studies of Reaction and Transport Phenomena during Silicate Glass Corrosion

Published on: May 9, 2025

635

Area of Science:

  • Computational materials science
  • Electrochemistry
  • Surface science

Background:

  • Magnesium's properties make it attractive for applications.
  • Its reactivity in water is poorly understood at the atomic level.
  • Simulating water/metal interfaces is computationally expensive.

Purpose of the Study:

  • Investigate water/magnesium interfaces using an efficient computational model.
  • Understand the atomistic-level reactivity of magnesium in aqueous environments.
  • Determine the equilibrium potential of Mg2+/Mg0.

Main Methods:

  • Utilized the VASPsol implicit solvent model for simulations.
  • Employed ab initio density functional theory.
  • Calculated electrochemical double layers on different Mg surfaces.

Main Results:

  • Different Mg surfaces form distinct electrochemical double layers.
  • Electron density smoothing follows Smoluchowski rules.
  • Interface properties depend on potential of zero charge and capacitance, influenced by water and OH adsorption.

Conclusions:

  • The calculated equilibrium potential for Mg2+/Mg0 is -2.46 V vs SHE.
  • Results align well with experimental data.
  • Provides atomistic insights into magnesium's aqueous reactivity.