Dynamic and Static Properties of Aqueous NaCl Solutions at 25°C as a Function of NaCl Concentration: A Molecular Dynamics Simulation Study

Figure 3

Radial distribution functions _io(r) and _ih(r) and the running hydration numbers n_io (r) and n_ih (r) of SPC/E water molecules for the A6 MD system at 25°C as a function of the distance r (Å) between the ion (i) and the oxygen (O) and hydrogen atom (H) of a water molecule using Ewald sum with κ = 0.10 Å − 1.