A force field for the simulation of mixtures of sodium chloride and water is described. The
model is specifically designed to reproduce the experimentally determined Kirkwood–Buff
integrals as a function of salt concentration, ensuring that a good representation of the
solution activity is obtained. In addition, the model reproduces many of the known properties
of sodium chloride solutions including the density, isothermal compressibility, ion diffusion
constants, relative permittivity, and the heat of mixing. The results are also compared to other …