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In the macroscopic world, objects that are large enough to be seen by the naked eye follow the rules of classical physics. A billiard ball moving on a table will behave like a particle; it will continue traveling in a straight line unless it collides with another ball, or it is acted on by some other force, such as friction. The ball has a well-defined position and velocity or well-defined momentum, p = mv, which is defined by mass m and velocity v at any given moment. This is the typical...
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Classical density functional theory for nanoparticle-laden droplets.

Melih Gül1, A J Archer2, B D Goddard3

  • 1Institute for Theoretical Physics, University of Tübingen, Auf der Morgenstelle 14, 72076 Tübingen, Germany.

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|September 18, 2025
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Summary
This summary is machine-generated.

Adding nanoparticles to liquid droplets enhances their stability against evaporation. This finding is crucial for understanding aerosol behavior, especially in the context of airborne disease transmission like COVID-19.

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Area of Science:

  • Physical Chemistry
  • Thermodynamics
  • Fluid Dynamics

Background:

  • Liquid droplets in open containers are thermodynamically unstable and prone to rapid evaporation.
  • Nanoparticles or solutes can alter the thermodynamic stability of liquid droplets.

Purpose of the Study:

  • To extend previous lattice density functional theory (DFT) models using continuum DFT.
  • To investigate the thermodynamic stability and structural properties of nanoparticle-laden droplets with varying nanoparticle-to-solvent size ratios (up to 10:1).

Main Methods:

  • Employed continuum density functional theory (DFT) to model fluid and nanoparticle density distributions.
  • Extended previous lattice DFT findings to a more accurate continuum model.

Main Results:

  • Continuum DFT results align well with previous lattice DFT findings.
  • Refined understanding of the stability and structure of nanoparticle-laden droplets.
  • Demonstrated that dissolved nanoparticles can stabilize droplets against evaporation.

Conclusions:

  • Nanoparticle-laden droplets exhibit enhanced thermodynamic stability.
  • This research provides critical insights into the behavior of aerosol particles, relevant to understanding airborne disease transmission (e.g., COVID-19).
  • The study highlights the importance of aerosol stability and lifetime in disease spread assessment.