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Solvation Structure of Ions in Water

Published

Author(s)

Raymond D. Mountain

Abstract

Molecular dynamics simulations of ions in water are reported for solutionsof varying solute concentration at ambient conditions for6 cations and 4 anions in 10 solutes. The solutes were selected to show trends inproperties as the size and charge density of the ions changes.The emphasis is on how the structure of water is modified by the presenceof the ions and how many water molecules are present in the first solvationshell of the ions.
Citation
International Journal of Thermophysics
Volume
28

Keywords

anion, cation, molecular dynamics, potential functions, solvation, water

Citation

Mountain, R. (2007), Solvation Structure of Ions in Water, International Journal of Thermophysics, [online], https://tsapps.nist.gov/publication/get_pdf.cfm?pub_id=831983 (Accessed February 29, 2024)
Created February 14, 2007, Updated February 19, 2017