Effects of nanoparticle heating on the structure of a concentrated aqueous salt solution

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Abstract / Description of output

The effects of a rapidly heated nanoparticle on the structure of a concentrated aqueous salt solution are studied using molecular dynamics simulations. A diamondlike nanoparticle of radius 20 A 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{20 A 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 diuse 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.
Original languageEnglish
Pages (from-to)214506
JournalThe Journal of Chemical Physics
Volume147
Issue number21
Early online date7 Dec 2017
DOIs
Publication statusE-pub ahead of print - 7 Dec 2017

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