Abstract
Monte Carlo simulations have been carried out for aqueous NaCl solution at three different concentrations. The water—water interactions are described by the Matsuoka—Clementi—Yoshimine (MCY) potential, while the ion—water pair potentials have been derived from ab initio calculations. The structure of the solutions is described by radial distribution functions. The strong effects of increasing salt concentration on water structure and the successive decay of the second hydration shell are discussed.
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