Fig. 2: CDI simulation design and predictions.
From: Long-lasting, monovalent-selective capacitive deionization electrodes
a Schematic of the CDI system used in simulations with either pristine (P) or functionalized (F) cathodes, with electrode and separator thicknesses le and lsp, respectively. Feedwater with ion concentrations cfeed,i enters the cell at x = 0 while charging at Vch, and the resulting desalinated effluent is collected for various scaled charging times, \(\hat t\), to quantify Na+ and Ca2+ concentration, ceffluent,i, and separation factor, \(\beta _{{\mathrm {Ca}}^{2+}}^{{\mathrm {Na}}^+}\). b Predictions of scaled Na+ ion adsorption, \({\Gamma}_{{\mathrm {Na}}^+}/{\Gamma}_{{\mathrm {Na}}^+, {\mathrm {eq}}}^{{\mathrm P} - {\mathrm P}}\) (left axis, green lines), Ca2+ ion adsorption, \({\Gamma}_{{\mathrm {Ca}}^{2+}}/{\Gamma}_{{\mathrm {Ca}}^{2+},{\mathrm {eq}}}^{{\mathrm P} - {\mathrm P}}\) (left axis, red lines), and \(\beta _{{\mathrm {Ca}}^{2+}}^{{\mathrm {Na}}^+}\) (right axis, blue lines), as functions of \(\hat t\). Calculations are for a model cell with either two pristine electrodes (P–P cell, solid lines) or a cell with a chemically functionalized cathode (F–P cell, dotted lines).
