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Molecular Dynamics Simulation of Ion Sputtering of a Sodium Chloride Solution

Molecular Dynamics Simulation of Ion Sputtering of a Sodium Chloride Solution The sputtering of an aqueous solution of sodium chloride with a concentration of 0.5 mol/L under bombardment by 1–20 positive ions with initial energies of 50–500 eV has been simulated by a molecular dynamics method. It has been found that the transfer of solute cations and anions to a gas phase requires a threshold energy of bombardment. It has been shown that the solute components occurred in the gas phase both as hydrated ions and in the form of ion pairs in the composition of water clusters. As the energy input into the cell reached ~0.33 eV/particle, the clusters of five or more water molecules were predominantly sputtered. http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png High Energy Chemistry Springer Journals

Molecular Dynamics Simulation of Ion Sputtering of a Sodium Chloride Solution

Sirotkin, N.; Titov, V.
High Energy Chemistry , Volume 52 (3) – Jun 1, 2018
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7 pages

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Publisher
Springer Journals
Copyright
Copyright © 2018 by Pleiades Publishing, Ltd.
Subject
Chemistry; Physical Chemistry
ISSN
0018-1439
eISSN
1608-3148
DOI
10.1134/S0018143918030141
Publisher site
See Article on Publisher Site

Abstract

The sputtering of an aqueous solution of sodium chloride with a concentration of 0.5 mol/L under bombardment by 1–20 positive ions with initial energies of 50–500 eV has been simulated by a molecular dynamics method. It has been found that the transfer of solute cations and anions to a gas phase requires a threshold energy of bombardment. It has been shown that the solute components occurred in the gas phase both as hydrated ions and in the form of ion pairs in the composition of water clusters. As the energy input into the cell reached ~0.33 eV/particle, the clusters of five or more water molecules were predominantly sputtered.

Journal

High Energy Chemistry – Springer Journals

Published: Jun 1, 2018

References

  • Plasma Discharge in Liquid: Water Treatment and Applications
    Yang, Y.; Cho, Y.I.; Fridman, A.
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    Berendsen, H.J.C.; Grigera, J.R.
  • Computer Simulation of Liquids
    Allen, M.P.; Tildesley, D.J.
  • Magnitnye svoistva i struktura rastvorov elektrolitov (Magnetic Properties and Structure of Electrolyte Solutions)
    Ergin, Yu.V.