Please use this identifier to cite or link to this item: http://hdl.handle.net/10995/102053
Title: Effects of nanoparticle heating on the structure of a concentrated aqueous salt solution
Authors: Sindt, J. O.
Alexander, A. J.
Camp, P. J.
Issue Date: 2017
Publisher: American Institute of Physics Inc.
Citation: Sindt J. O. Effects of nanoparticle heating on the structure of a concentrated aqueous salt solution / J. O. Sindt, A. J. Alexander, P. J. Camp. — DOI 10.1063/1.5002002 // Journal of Chemical Physics. — 2017. — Vol. 147. — Iss. 21. — 214506.
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. © 2017 Author(s).
Keywords: CHLORINE COMPOUNDS
IONS
MOLECULAR DYNAMICS
MOLECULES
AQUEOUS SALT SOLUTION
LASER-INDUCED NUCLEATION
MOLECULAR DYNAMICS SIMULATIONS
NANOPARTICLE SURFACE
SATURATION CONCENTRATION
SODIUM CHLORIDE SOLUTION
TRANSIENT REDUCTION
WATER MOLECULE
NANOPARTICLES
URI: http://hdl.handle.net/10995/102053
Access: info:eu-repo/semantics/openAccess
SCOPUS ID: 85037808932
PURE ID: 6215798
ccb561f8-89bc-40be-bf2f-a34b5468d637
ISSN: 219606
DOI: 10.1063/1.5002002
Appears in Collections:Научные публикации, проиндексированные в SCOPUS и WoS CC

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