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 |