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 Experiment Videos

Time-dependent diffusion coefficients in periodic porous materials.

Olga K Dudko1, Alexander M Berezhkovskii, George H Weiss

  • 1Mathematical and Statistical Computing Laboratory, Division of Computational Bioscience, Center for Information Technology, National Institutes of Health, Bethesda, MD 20892, USA.

The Journal of Physical Chemistry. B
|July 21, 2006
PubMed
Summary
This summary is machine-generated.

Related Concept Videos

You might also read

Related Articles

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

Sort by
Same author

Solute flux through a fluctuating membrane channel.

Physical chemistry chemical physics : PCCP·2026
Same author

Time and Length Scales of Incomplete Translocation through Nanopores.

The journal of physical chemistry letters·2025
Same author

Trapping of particles diffusing in a cavity by hidden binding sites analyzed with the Reimann-Schmid-Hanggi steady-state approach.

Physical chemistry chemical physics : PCCP·2025
Same author

Barrier recrossing dynamics and phenomenological rate equations from single-molecule perspective.

The Journal of chemical physics·2025
Same author

Particle dynamics in biconical cavities: First-passage, direct-transit, and looping time distributions.

The Journal of chemical physics·2025
Same author

Flux through membrane channel: linear transport <i>vs.</i> single-molecule approaches.

Physical chemistry chemical physics : PCCP·2025

We developed a model for molecular diffusion in porous materials, showing how the diffusion coefficient decreases over time. Our findings align well with simulation data, offering insights into transport phenomena.

Area of Science:

  • Physics
  • Physical Chemistry
  • Materials Science

Background:

  • Molecular diffusion in porous materials is crucial for various applications.
  • Understanding the time-dependent diffusion coefficient D(t) is essential for accurate modeling.
  • Periodic porous structures present unique challenges for diffusion analysis.

Purpose of the Study:

  • To derive an approximate solution for the Laplace transform of the time-dependent diffusion coefficient D(t).
  • To model diffusion in a periodic porous material represented by a cubic lattice of cavities.
  • To provide a heuristic formula for the mean-squared displacement of diffusing molecules.

Main Methods:

  • Derivation of an approximate analytical solution for D(t).
  • Modeling the porous material as a cubic lattice with cavities and apertures.

Related Experiment Videos

  • Comparison of theoretical predictions with Brownian dynamics simulations.

    • Main Results:

    • The derived solution describes the decrease of D(t) from its initial value D to an asymptotic effective diffusion coefficient D(eff).
    • The asymptotic value D(eff) is significantly smaller than the free solvent diffusion constant D.
    • The theoretical results show good agreement with Brownian dynamics simulation data.

    Conclusions:

    • The study provides a valuable theoretical framework for understanding time-dependent diffusion in periodic porous media.
    • The heuristic formula for mean-squared displacement offers a simplified approach for analysis.
    • The findings are validated by simulation, enhancing confidence in the model's applicability.