Molecular dynamics simulation of NaCl dissolution.

Molecular dynamics simulations are used to investigate the dissolution of NaCl nanocrystals (containing ∼2400 ions) in water. We focus on systems under sink conditions at 300 K, but the influences of concentration and temperature are also investigated. Cubical, spherical, tablet-shaped, and rod-shaped nanocrystals are considered, and it is shown that the initial shape can influence the dissolution process.