Molecular dynamics study of supercritical aqueous sodium chloride solutions

The microstructure of aqueous supercritical sodium chloride solution was investigated. by molecular dynamics simulation. Under supercritical conditions, the effect of density on the microstructure of aqueous supercritical sodium chloride solution is more pronounced than the effect of temperature. Under supercritical conditions, the g(Na)(Cl)(+)(-) (r) has a peak value at 0.261 nm, which indicates the association between Na+ and Cl-. The higher the supercritical temperature, the stronger the association interaction. The higher the supercritical density, the weaker the association interaction. With the increase of supercritical temperature, both the hydration factor and hydration number of Na+ and Cl- decrease.