Research Article
Ab Initio Molecular Dynamics Simulations and Vibrational Frequency Calculations of Species in Liquid-Liquid Phase Separated MgSO4 Solution at 543 K
Figure 1
Hydration structures of complexes in water in equilibrium. Color key: O = red; H = white; Mg = pink; S = yellow. Not all water molecules are displayed here.
| (a) SIP |
| (b) Bi-CIP |
| (c) Mono-CIP |
| (d) S-M-S |
| (e) M-S-M |
| (f) S-3M |
| (g) S-4M |
| (h) 4S-4M |