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

Hydration entropy change from the hard sphere model.

Giuseppe Graziano1, Byungkook Lee

  • 1Faculty of Science, University of Sannio, Via Port'Arsa, 11-82100 Benevento, Italy. graziano@unisannio.it

Biophysical Chemistry
|December 19, 2002
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

On the entropic driving force of the contact-minimum configuration of two large Lennard-Jones particles in TIP4P/2005 water.

The Journal of chemical physics·2025
Same author

VisualR: A novel and scalable solution for assessing visual function using virtual reality.

Digital health·2025
Same author

Association of mean platelet volume-to-platelet count ratio for 24-hour mortality in patients with severe trauma.

Medicine·2025
Same author

On Enthalpy-Entropy Compensation Characterizing Processes in Aqueous Solution.

Entropy (Basel, Switzerland)·2025
Same author

Syringable Microcapsules for Sustained, Localized, and Controllable siRNA Delivery.

ACS applied materials & interfaces·2024
Same author

On the Stabilizing Effect of Aspartate and Glutamate and Its Counteraction by Common Denaturants.

International journal of molecular sciences·2024
Same journal

NMR-based serum metabolomic signatures distinguish active tuberculosis from latent tuberculosis infection.

Biophysical chemistry·2026
Same journal

Machine learning-driven identification of pan-PI3K inhibitors: A hybrid virtual screening approach combining naïve Bayesian classification, pharmacophore modeling, and consensus scoring-based molecular docking.

Biophysical chemistry·2026
Same journal

Optimizing grid preparation methods for TEM imaging of amyloid-forming proteins.

Biophysical chemistry·2026
Same journal

Biogenic reduction mechanisms in iron oxide nanoparticle synthesis: Strategies to mitigate microbial resistance.

Biophysical chemistry·2026
Same journal

Novel Pennisetum Alopecuroides-derived activated carbon for high-efficiency Tartrazine Removal: Box-Behnken optimization and DFT-assisted mechanistic insights.

Biophysical chemistry·2026
Same journal

Reactive molecular dynamics investigation of the first steps of coronavirus (COVID-19) viral-protein ligands fragment (SARS-CoV-2).

Biophysical chemistry·2026
See all related articles

A hard sphere model accurately predicts gas-to-liquid transfer entropy for non-polar liquids. For hydrogen-bonding liquids like water, adjusting molecular size to account for the absence of hydrogen bonds improves entropy change predictions.

Area of Science:

  • Physical Chemistry
  • Thermodynamics
  • Computational Chemistry

Background:

  • Hard sphere models accurately predict gas-to-liquid transfer entropy for non-polar liquids using the Carnahan-Starling equation of state.
  • This model fails for hydrogen-bonding liquids like water, methanol, and ethanol due to complexities beyond simple hard sphere interactions.

Purpose of the Study:

  • To investigate why hard sphere models fail for hydrogen-bonding liquids.
  • To determine if adjusting molecular size in hard sphere models can improve transfer entropy predictions for these liquids.
  • To refine hard sphere models for better accuracy in calculating hydration entropy.

Main Methods:

  • Utilizing a hard sphere model with adjusted molecular sizes to simulate hydrogen-bonding liquids.
  • Comparing model predictions with experimental gas-to-liquid transfer entropy values.

Related Experiment Videos

  • Analyzing the impact of packing density and free volume on entropy calculations.

    • Main Results:

    • Increasing the packing density of the hard sphere system by adjusting molecular size significantly improves the prediction of experimental transfer entropy values for hydrogen-bonding liquids.
    • Standard hard sphere models, even with adjusted water molecule sizes, do not accurately predict transfer entropy for small non-polar hydrocarbons in water.
    • A modified hard sphere model, limiting free volume increase based on surface-to-surface distances, approximates experimental hydration entropy values.

    Conclusions:

    • The failure of simple hard sphere models for hydrogen-bonding liquids stems from neglecting the effects of hydrogen bonding on molecular packing and free volume.
    • Adjusting molecular size and packing density within a hard sphere framework can lead to more accurate predictions of transfer and hydration entropy.
    • Further refinement of hard sphere models, considering solute-solvent interactions and free volume limitations, is crucial for accurate thermodynamic calculations.