Publication: Colloidal silica, Molecular dynamics simulation part III

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Title Colloidal silica, Molecular dynamics simulation part III
Authors/Editors* S. Jenkins and S.R. Kirk, M. Persson and J. Carlen Editor Michel Mareschal
Where published* Conference on Computational Physics Brussels, September 5-8
How published* Proceedings
Year* 2007
Publisher Vrije University Brussels
Keywords Silica colloid, molecular dynamics, potential of mean force, water ordering
Explicit molecular dynamics simulations were applied to a pair of amorphous silica nanoparticles in aqueous solution (3.2 nm in diameter) and four different background electrolyte concentrations. Radial distribution functions and derived quantities were used to probe the surface environment of the nanoparticles where further evidence of water layering was found. In addition a 'patchy' double layer of adsorbed sodium counterions was directly observed
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