Ab Initio Molecular Dynamics Simulations and Vibrational Frequency Calculations of Species in Liquid-Liquid Phase Separated MgSO₄ Solution at 543 K

Figure 2

The PMF for processes (1)–(3). The error bar is the integral of errors at every of the mean force. Details for calculating errors can be found in SI Section 4 and Figure S3. The snapshot of Bi-S-M-S and Bi-M-S-M can be found in Figure S7.

(a) CIP → SIP

(b) S-M-S → CIP + SO₄^2-

(c) M-S-M → CIP + Mg²⁺