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

Molecular flexibility effects upon liquid dynamics.

Julieanne V Heffernan1, Joanne Budzien, Aaron T Wilson

  • 1Department of Materials and Metallurgical Engineering, New Mexico Institute of Mining and Technology, Socorro, New Mexico 87801, USA.

The Journal of Chemical Physics
|May 19, 2007
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

Gastric Adenocarcinoma and Proximal Polyposis Syndrome: An Early Catch!

The American journal of gastroenterology·2025
Same author

Pregnancies through oocyte donation. A mini review of pathways involved in placental dysfunction.

Frontiers in medicine·2024
Same author

Routine third-trimester ultrasound assessment for intrauterine growth restriction.

American journal of obstetrics & gynecology MFM·2024
Same author

A Review on the Management of Peripheral Neuropathic Pain Following Breast Cancer.

Breast cancer (Dove Medical Press)·2023
Same author

Fetal Growth Velocity according to the Mode of Assisted Conception.

Fetal diagnosis and therapy·2023
Same author

Understanding the Effect of Side Reactions on the Recyclability of Furan-Maleimide Resins Based on Thermoreversible Diels-Alder Network.

Polymers·2023
Same journal

Anharmonic phonons via quantum thermal bath simulations.

The Journal of chemical physics·2026
Same journal

Quantum simulation of alignment dependent differential cross sections in co-propagating molecular beams at cold collision energies.

The Journal of chemical physics·2026
Same journal

Non-additive ion effects on the coil-globule equilibrium of a generic polymer in aqueous salt solutions.

The Journal of chemical physics·2026
Same journal

Insights into the unexpected small reduction of the temperature of maximum density of water by lithium chloride addition.

The Journal of chemical physics·2026
Same journal

Optical frequency comb double-resonance spectroscopy of the 9030-9175 cm-1 states of ethylene.

The Journal of chemical physics·2026
Same journal

Time reversal breaking of colloidal particles in cells.

The Journal of chemical physics·2026
See all related articles

This study analyzes polymer diffusion dynamics, revealing that the dimensionless diffusion coefficient (D*) is a power law function of packing fraction (eta). This relationship is sensitive to chain flexibility and particle type, with a limiting packing fraction indicating the glass transition.

Area of Science:

  • Polymer Physics
  • Materials Science
  • Computational Chemistry

Background:

  • Understanding polymer chain dynamics is crucial for materials science.
  • Diffusion behavior in polymer/penetrant systems is complex and influenced by molecular interactions.

Purpose of the Study:

  • To analyze the diffusive behavior of polymer chain/penetrant systems using simulations.
  • To investigate the impact of chain attractive range and flexibility on polymer dynamics.
  • To establish a relationship between diffusion and packing fraction.

Main Methods:

  • Molecular dynamics simulations were employed to model polymer chain/penetrant systems.
  • Varied parameters included attractive range and flexibility of polymer chains.
  • Analyzed the dimensionless diffusion coefficient (D*) as a function of packing fraction (eta).

Related Experiment Videos

Main Results:

  • The dimensionless diffusion coefficient (D*) consistently follows a power law with respect to packing fraction (eta).
  • Exponents of these power laws are dependent on chain stiffness and particle type.
  • Both penetrant and chain-center-of-mass diffusion coefficients extrapolate to zero at a critical packing fraction (eta0).

Conclusions:

  • The packing fraction (eta0) at which diffusion ceases is identified as the glass transition point.
  • The quantity (eta0 - eta) represents the distance to the glass transition.
  • Simulation results provide a framework for understanding diffusion and glass transitions in polymer systems.