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

Table 1

Components and size of the simulated models.

(K)	Anions and ions	Number of water	Length of the cube (Å)
543	SO4^2-	61	13.56
	CIP	61	13.56
	S-M-S	122	17.09
	M-S-M	122	17.09
330	SO4^2-	61	12.48
	CIP	61	12.48
	S-M-S	122	15.73
	M-S-M	122	15.73
	S-3M	120	15.73
	S-4M	120	15.73
	4S-4M	110	15.73