Table 1.

Concentrations of the species in the molecular dynamics’ simulation boxes, calculated and experimental densities.

Ionic Liquid	Species Concentration, mole/L			Solution Density		Δ Density % a,b
	SF	IL	DMSO	Experimental	MD-Based
BuMeImAcO	3.63 × 10−3	2.72	6.36	1.0508	1.0624	1.1
AlBzMe2NAcO	3.76 × 10−3	2.82	6.58	1.0556	1.0642	0.8

^a—Density values at 60 °C. ^b—Δ Density, % = [(MD-Based density − Experimental density)/Experimental density] × 100.