Solvation pressure in ethanol by molecular dynamics simulations
نویسندگان
چکیده
منابع مشابه
Molecular dynamics computer simulations of solvation in hydrogen bonded systems
This review first discusses briefly some of he various models used in large scale computer simulations of water and aqueous systems. The radial pair distribution functions describing the structures of the hydration shells of divalent ions, as determined from MD simulations of 1.lm solutions of the chloride salts, are then presented. The ion-water potentials for these studies were determined by ...
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ژورنال
عنوان ژورنال: Physical Review B
سال: 2007
ISSN: 1098-0121,1550-235X
DOI: 10.1103/physrevb.76.104303