Figure 5
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The visualization and diffusion behavior of ILs with water based on molecular dynamics simulations. (a) Molecular dynamics simulation snapshots of [C2mim][TFO] and [C2mim][TFSI] at different water contents. MSD of (b) H2O and (c) cations and anions in the [C2mim][TFO] at different water contents. (d) Diffusion coefficients of [C2mim]+, [TFO]−, and H2O in the [C2mim][TFO] at different water contents. MSD of (e) H2O and (f) cations and anions in the [C2mim][TFSI] at different water contents. (g) Diffusion coefficients of [C2mim]+, [TFSI]−, and H2O in the [C2mim][TFSI] at different water contents.
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