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

Figure 1

Comparison of the diffusion coefficients (D =  + ) of NaCl at 25°C as a function of the molar concentration (c) of NaCl for given Ewald sum parameters (κ) employing a velocity Verlet algorithm obtained from MSDs of our MD simulations with the experimental data [23].