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

Solvation in supercritical water.

Jinsong Duan1, Youngseon Shim, Hyung J Kim

  • 1Department of Chemistry, Carnegie Mellon University, Pittsburgh, Pennsylvania 15213-2683, USA.

The Journal of Chemical Physics
|June 16, 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

Structural basis for the extended-spectrum antimicrobial activity of Garvieacin Q.

Applied and environmental microbiology·2026
Same author

Detection and characterization of a compound 1 species from the <i>c</i>-type heme enzyme cytochrome <i>c</i>'<sub>β</sub>.

Chemical science·2025
Same author

Comparison of Patient-Specific Plates and Pre-Bent Plates for Preserving Condylar Position in Mandible Reconstruction.

The Journal of craniofacial surgery·2025
Same author

On the Moisture Absorption Capability of Ionic Liquids.

The journal of physical chemistry. B·2024
Same author

Architecture of the bacteriophage lambda tail.

Structure (London, England : 1993)·2023
Same author

Infrared Spectroscopy of Li<sup>+</sup> Solvation in Diglyme: Ab Initio Molecular Dynamics and Experiment.

The journal of physical chemistry. B·2023

Supercritical water solvation dynamics depend on solute charge and solvent density. Low densities reveal complex water molecule rotations and translations influencing relaxation.

Area of Science:

  • Physical Chemistry
  • Computational Chemistry
  • Materials Science

Background:

  • Understanding solvation in supercritical fluids is crucial for chemical processes.
  • Supercritical water's unique properties influence solute-environment interactions.
  • Previous studies highlight ion solvation but less on dynamic responses.

Purpose of the Study:

  • To investigate solvation structures and dynamics in supercritical water.
  • To examine the effects of solute charge distribution and solvent density.
  • To analyze solvent relaxation under equilibrium and nonequilibrium conditions.

Main Methods:

  • Molecular dynamics simulations were employed.
  • A diatomic probe solute molecule was used.
  • Simulations covered both equilibrium and nonequilibrium states.

Related Experiment Videos

Main Results:

  • Solvation structure significantly depends on solute dipole moment, especially at low densities.
  • Electrostrictive effects impact solvation dynamics.
  • Nonequilibrium relaxation shows density-dependent contributions from water molecule rotations and translations.

Conclusions:

  • Solute charge and solvent density are key factors in supercritical water solvation.
  • Linear response theory applicability is limited at low water densities.
  • Dynamic Stokes shift is governed by inertial rotations or translations depending on local density.