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

Simple computer experiments with ordinary ice.

Ivan L Shulgin1, Eli Ruckenstein

  • 1Department of Chemical and Biological Engineering, State University of New York at Buffalo, Amherst, New York 14260, USA.

The Journal of Physical Chemistry. B
|October 20, 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

Reshaping two-dimensional MoS<sub>2</sub> for superior magnesium-ion battery anodes.

Journal of colloid and interface science·2021
Same author

Effect of chemical aging of aqueous organic aerosols on the rate of their steady-state nucleation.

Physical chemistry chemical physics : PCCP·2020
Same author

Kinetic equation of concurrent nucleation and chemical aging of an ensemble of aqueous organic aerosols.

Physical review. E·2020
Same author

OH-Initiated Reactions of <i>para</i>-Coumaryl Alcohol Relevant to the Lignin Pyrolysis. Part III. Kinetics of H-Abstraction by H, OH, and CH<sub>3</sub> Radicals.

The journal of physical chemistry. A·2020
Same author

OH-Initiated Reactions of <i>para</i>-Coumaryl Alcohol Relevant to the Lignin Pyrolysis. Part II. Kinetic Analysis.

The journal of physical chemistry. A·2020
Same author

Bond Number Revisited: Axisymmetric Macroscopic Pendant Drop.

Langmuir : the ACS journal of surfaces and colloids·2020

Computer simulations reveal that over 61% of hydrogen bonds (H-bonds) must break to fragment ice into clusters. Melting ice, with only 13-20% H-bonds broken, preserves a continuous, albeit distorted, H-bond network.

Area of Science:

  • Physical Chemistry
  • Materials Science
  • Computational Physics

Background:

  • Hydrogen bonds (H-bonds) are crucial for the structural integrity of ice.
  • Understanding H-bond dynamics during phase transitions is key to materials science.
  • Percolation theory provides a framework for analyzing network fragmentation.

Purpose of the Study:

  • To investigate the critical percentage of H-bonds that must break to fragment hexagonal ice.
  • To determine if typical melting percentages fragment the ice H-bond network.
  • To examine how layer thickness affects H-bond network fragmentation.

Main Methods:

  • Computer simulations of hexagonal ice structures (cubes, monolayers, multilayers) using up to six million water molecules.
  • Systematic breaking of varying percentages of H-bonds within simulated ice structures.

Related Experiment Videos

  • Analysis of resulting water clusters and network integrity.

    • Main Results:

    • Complete fragmentation of bulk ice requires breaking 61% of H-bonds, aligning with percolation theory thresholds.
    • Melting ice (13-20% H-bonds broken) does not fragment the network; >99% of molecules remain in a continuous, distorted network.
    • Fragmentation threshold for layered ice increases with layer number, reaching the bulk value for 5-8 layers.

    Conclusions:

    • Significant H-bond breakage is necessary to disrupt the ice network.
    • The H-bond network of ice remains largely intact during typical melting processes.
    • Thin ice films exhibit bulk-like H-bond network properties beyond a critical thickness (20-30 Å).