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. 2021 Sep 30;118(40):e2108240118. doi: 10.1073/pnas.2108240118

Table 2.

System parameters for simulations compared to experiments (Figs. 2 and 3) or used only for theoretical analysis (Fig. 4)

Property Value (Figs. 2 and 3) Value (Fig. 4) Description
pHF 6.3* 7.0 Feed pH
cF,B 0.37 mM* 0, 0.37 mM* Feed boron concentration
EER 2.57Ω 0Ω Electronic resistance
pmA 0.70 * 0.70* Macropores porosity
τmA pmA0.5=1.20* pmA0.5=1.20* Macropores tortuosity
pmi 0.154* 0.172 Micropores porosity
CS,X=CS,Y 200 F/mL 150 F/m L Stern capacitance
αmi,X 0.5 0.5 Acidic groups volume fraction
cchem,X,t 0.80 M 0.25 M Concentration of acidic groups
pKXH 4.9 5.0 Reaction’s pK in the acidic region
αmi,Y 1-αmi,X=0.5 1-αmi,X=0.5 Basic groups volume fraction
cchem,Y,t 0.60 M 0.25 M Concentration of basic groups
pKYH+ 8.5 9.0 Reaction’s pK in the basic region
*

The values obtained from the experimental setup.

The values assumed for hypothetical pristine electrodes.

The values obtained from characterization experiments (SI Appendix, Section S3).