Skip to main content
. 2013 May 7;117(21):6466–6472. doi: 10.1021/jp311418q

Figure 3.

Figure 3

Per-water contributions to hydration entropy for Na+ for different water models. Ordered regions coincide with the hydration shells at 2.4 Å and 4.8 Å, respectively. The transition region between these shells shows almost bulk-like ordering. The statistical uncertainty in the innermost shells is significantly larger than in the outer regions as the occupancy is smaller. Subsequently, volume-normalized integration is performed.