Research Article
Dynamic and Static Properties of Aqueous NaCl Solutions at 25°C as a Function of NaCl Concentration: A Molecular Dynamics Simulation Study
Table 2
The MD simulated systems in this study.
| System | Number of Na+(Cl−) ion (s) | Number of molecules (Nw) | Number of water (mol/L) | %WNaCl | ρt (g/cm3) |
| A1 | 1 | 1986 | 0.0278 | 0.16308 | 0.99546 | A2 | 2 | 1985 | 0.0556 | 0.32580 | 0.99658 | A3 | 4 | 1984 | 0.111 | 0.64980 | 0.99933 | A4 | 8 | 1981 | 0.222 | 1.29314 | 1.00432 | A5 | 18 | 1972 | 0.5 | 2.87598 | 1.01605 | A6 | 36 | 1956 | 1.0 | 5.63432 | 1.03727 | A7 | 72 | 1918 | 2.0 | 10.8560 | 1.07670 | A8 | 108 | 1875 | 3.0 | 15.7441 | 1.11362 | A9 | 144 | 1828 | 4.0 | 20.3538 | 1.14854 |
|
|