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Publication Citation: Solvation Structure of Ions in Water

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Author(s): Raymond D. Mountain;
Title: Solvation Structure of Ions in Water
Published: February 14, 2007
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
Pages: pp. 536 - 543
Keywords: anion,cation,molecular dynamics,potential functions,solvation,water
Research Areas: Physics
PDF version: PDF Document Click here to retrieve PDF version of paper (177KB)