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

Entropy and Solvation02:05

Entropy and Solvation

8.7K
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...
8.7K
Gibbs Free Energy02:39

Gibbs Free Energy

41.1K
One of the challenges of using the second law of thermodynamics to determine if a process is spontaneous is that it requires measurements of the entropy change for the system and the entropy change for the surroundings. An alternative approach involving a new thermodynamic property defined in terms of system properties only was introduced in the late nineteenth century by American mathematician Josiah Willard Gibbs. This new property is called the Gibbs free energy (G) (or simply the free...
41.1K
Phase Transitions: Sublimation and Deposition02:33

Phase Transitions: Sublimation and Deposition

20.9K
Some solids can transition directly into the gaseous state, bypassing the liquid state, via a process known as sublimation. At room temperature and standard pressure, a piece of dry ice (solid CO2) sublimes, appearing to gradually disappear without ever forming any liquid. Snow and ice sublimate at temperatures below the melting point of water, a slow process that may be accelerated by winds and the reduced atmospheric pressures at high altitudes. When solid iodine is warmed, the solid sublimes...
20.9K
Enthalpy of Solution02:39

Enthalpy of Solution

31.8K
There are two criteria that favor, but do not guarantee, the spontaneous formation of a solution:
31.8K
Energy Diagrams - II01:10

Energy Diagrams - II

14.1K
Energy diagrams are important to understand the dynamics of a system. The topology of an energy diagram helps illustrate the equilibrium points of the system.
The point in the energy diagram at which the system’s potential energy is the lowest is known as the local minima. The system tends to stay in this position indefinitely unless acted upon by a net force. The slope of the potential energy diagram at the local minima is zero, indicating that zero net force is acting on the system. The...
14.1K
Theories of Dissolution: The Danckwerts' Model and Interfacial Barrier Model01:09

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

908
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...
908

You might also read

Related Articles

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

Sort by
Same author

Molecular Insights into Adsorption and Mobility of Per- and Polyfluoroalkyl Substances at Hydrated Silica Surfaces.

Langmuir : the ACS journal of surfaces and colloids·2026
Same author

Molecular Insights into CO<sub>2</sub> Flooding and Huff-and-Puff for Enhanced Shale Oil Recovery and Carbon Sequestration in Dead-End Nanopores.

Langmuir : the ACS journal of surfaces and colloids·2026
Same author

Study of the Influence of Na<sup>+</sup> and Mg<sup>2+</sup> on CaCO<sub>3</sub> Cluster Nucleation and Growth Based on ReaxFF Molecular Dynamics Simulations.

The journal of physical chemistry letters·2025
Same author

Molecular-Scale Insights into the Aqueous Dispersion and Water-Oil Interfacial Behavior of Surfactant Functionalized Silica Nanoparticles.

The journal of physical chemistry. B·2025
Same author

Development and application of an improved constitutive model for acidizing coal around fractured boreholes.

Scientific reports·2025
Same author

Quantitative sources identification of gas emissions in mined-out area of coal seams in the Huanglong coalfield of the Ordos Basin, China.

Scientific reports·2025
Same journal

Controlled Secondary Growth of CAU-1-NH<sub>2</sub> Membranes with Improved CO<sub>2</sub> Separation Performance.

Langmuir : the ACS journal of surfaces and colloids·2026
Same journal

Facile Fabrication and Stable Mechanism of a Microscale Heavy Calcium Carbonate Suspension.

Langmuir : the ACS journal of surfaces and colloids·2026
Same journal

Polycationic Biocidal Coatings: The Mechanism of Their Interaction with Cells.

Langmuir : the ACS journal of surfaces and colloids·2026
Same journal

Atomic-Scale Displacement in Ordered SmMnO<sub>3</sub> Nanoislands.

Langmuir : the ACS journal of surfaces and colloids·2026
Same journal

Vacancy Defect Modulated Interfacial Thermal Transport and Phonon Localization in AlGaN/GaN Heterojunctions.

Langmuir : the ACS journal of surfaces and colloids·2026
Same journal

Immobilization of Ytterbium via Polyphenol Chemistry on Implant Materials for Enhanced Cytocompatibility and Antibacterial Properties.

Langmuir : the ACS journal of surfaces and colloids·2026
See all related articles

Related Experiment Video

Updated: Mar 30, 2026

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

13.5K

Sorption Hysteresis Is a Deformation Problem: An Atomistic Free-Energy Perspective.

Quanlin Yang1,2, Junhua Xue3,4, Haifei Lin3,4

  • 1School of Mining and Petroleum Engineering, Department of Civil and Environmental Engineering, University of Alberta, Edmonton, Alberta T6G 1H9, Canada.

Langmuir : the ACS Journal of Surfaces and Colloids
|March 28, 2026
PubMed
Summary
This summary is machine-generated.

Gas sorption hysteresis in flexible materials is caused by irreversible structural changes during adsorption and desorption. This study reveals that framework swelling and rearrangements lead to larger pore volumes on desorption, explaining the hysteresis phenomenon.

More Related Videos

An Analog Macroscopic Technique for Studying Molecular Hydrodynamic Processes in Dense Gases and Liquids
11:03

An Analog Macroscopic Technique for Studying Molecular Hydrodynamic Processes in Dense Gases and Liquids

Published on: December 4, 2017

9.1K
Probing the Structure and Dynamics of Interfacial Water with Scanning Tunneling Microscopy and Spectroscopy
10:28

Probing the Structure and Dynamics of Interfacial Water with Scanning Tunneling Microscopy and Spectroscopy

Published on: May 27, 2018

9.6K

Related Experiment Videos

Last Updated: Mar 30, 2026

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

13.5K
An Analog Macroscopic Technique for Studying Molecular Hydrodynamic Processes in Dense Gases and Liquids
11:03

An Analog Macroscopic Technique for Studying Molecular Hydrodynamic Processes in Dense Gases and Liquids

Published on: December 4, 2017

9.1K
Probing the Structure and Dynamics of Interfacial Water with Scanning Tunneling Microscopy and Spectroscopy
10:28

Probing the Structure and Dynamics of Interfacial Water with Scanning Tunneling Microscopy and Spectroscopy

Published on: May 27, 2018

9.6K

Area of Science:

  • Materials Science
  • Chemical Engineering
  • Computational Chemistry

Background:

  • Gas sorption hysteresis in flexible amorphous materials is crucial for engineering applications but lacks a clear mechanistic explanation.
  • Existing models often overlook the role of material deformation during gas sorption cycles.

Purpose of the Study:

  • To elucidate the fundamental thermodynamic origin of gas sorption hysteresis in flexible amorphous microporous solids.
  • To develop a computational framework capable of simulating continuous adsorption-desorption cycles in deformable materials.

Main Methods:

  • Developed a stepwise hybrid Grand Canonical Monte Carlo/Molecular Dynamics (GCMC/MD) simulation framework.
  • Simulated continuous adsorption-desorption cycles in a deformable microporous carbonaceous matrix under equilibrium conditions.
  • Introduced a two-route alchemical free energy perturbation (FEP) protocol to quantify host deformation work.

Main Results:

  • Identified adsorption-induced swelling and persistent micromechanical rearrangements as the cause of hysteresis.
  • Observed systematically larger pore volumes and altered pore size distributions (PSDs) on the desorption branch.
  • Quantified higher deformation free energy density during desorption compared to adsorption, indicating irreversible structural evolution.

Conclusions:

  • Branch-asymmetric deformation free energy provides a thermodynamic explanation for sorption hysteresis in flexible amorphous solids.
  • Sorption-induced deformation and metastable free energy states must be integrated into predictive models for gas storage and separation.