Figure 21.

(a) Self-diffusion coefficients of solvents and ions in the 1,3-dioxalane (DOL): dimethoxy ethane (DME) electrolytes with 0.25 M, 1 M, or 3 M LiTFSI, 0.25 M Li₂S_x (x = 4, 6, 8), and 0.25 M Li₂S_x (x = 4, 6, 8) + 1 M LiTFSI salts computed from MD simulations and PFG-NMR.⁴³ Reproduced with permission from ref (43). Copyright 2017 American Chemical Society. (b) Conductivity of DME:LiTFSI and PC:LiTFSI electrolytes as a function of salt concentration expressed in mol per kg solvent (m) as obtained from experiments and from MD simulations using a many-body polarizable force field.²⁴⁶ Reproduced with permission from ref (246). Copyright 2006 American Chemical Society.