Skip to main content
. Author manuscript; available in PMC: 2017 Dec 14.
Published in final edited form as: J Phys Chem B. 2017 Dec 1;121(49):11169–11179. doi: 10.1021/acs.jpcb.7b09616

Figure 4.

Figure 4

Optimization of Stern layer definition in NPB via detailed analysis of electrostatic excess chemical potential μBAR versus λele for the highest molality at 6.17 mol/kg. The benchmark data from the SPC/E BAR calculation are shown as red dots. LPB and NPB BAR calculations using the same snapshots from the SPC/E BAR calculation are shown as open triangles and blue squares, respectively. The Stern layer is defined with the default two Angstrom ion exclusion radius.