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. 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 1.

Figure 1

Simulated density of NaCl solution in SPC/E versus molality at T=298.15K and P=1 bar after 100ns NPT equilibration simulation. Here SPC/E water model and JC force field for Na+ and Cl− were used. Experimental data are form Rogers and Pitzer115 and are fitted to a second order polynomial.