AI Article Synopsis
- The study uses molecular dynamics simulations to analyze how a rapidly heated diamond-like nanoparticle affects a concentrated sodium-chloride solution.
- The nanoparticle, initially at room temperature, is heated to thousands of degrees, causing salt ions to be significantly depleted in a nearby region, while water remains primarily unaffected.
- This depletion creates distinct proximal and distal zones around the nanoparticle, influencing ion clustering and potentially impacting nonphotochemical laser-induced nucleation processes.
Article Abstract
The effects of a rapidly heated nanoparticle on the structure of a concentrated aqueous salt solution are studied using molecular dynamics simulations. A diamond-like nanoparticle of radius 20 Å is immersed in a sodium-chloride solution at 20% above the experimental saturation concentration and equilibrated at T = 293 K and P = 1 atm. The nanoparticle is then rapidly heated to several thousand degrees Kelvin, and the system is held under isobaric-isoenthalpic conditions. It is observed that after 2-3 ns, the salt ions are depleted far more than water molecules from a proximal zone 15-25 Å from the nanoparticle surface. This leads to a transient reduction in molality in the proximal zone and an increase in ion clustering in the distal zone. At longer times, ions begin to diffuse back into the proximal zone. It is speculated that the formation of proximal and distal zones, and the increase in ion clustering, plays a role in the mechanism of nonphotochemical laser-induced nucleation.
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| http://dx.doi.org/10.1063/1.5002002 | DOI Listing |
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