Figure 19.

Equivalent circuit models. (A) Typical snapshot of a simulation cell, with the corresponding equivalent circuit model. Blue, acetonitrile molecules; red, BMIM⁺ cations; green, PF₆^– anions; and turquoise, carbon electrodes. In the equivalent circuit model, R_bulk is the resistance of the electrolyte in the bulk region, while R_l and C_l are the resistance and the capacitance inside the electrodes, respectively. (B) Total charge accumulated on the positive electrode during a charge–discharge–charge cycle obtained directly from MD simulations (black) and using the equivalent circuit model (red). Reproduced with permission from ref (356). Copyright 2016 Elsevier.