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
Pub Type: Journals
anion, cation, molecular dynamics, potential functions, solvation, water