WORCESTER BOSCH SET OF ELECTRODES 87186643010

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S. Mao, L. Chen, Y. Zhang, Z. Li, Z. Ni, Z. Sun and R. Zhao, J. Colloid Interface Sci., 2019, 544, 321–328 CrossRef CAS. P. Srimuk, J. Lee, S. Fleischmann, M. Aslan, C. Kim and V. Presser, ChemSusChem, 2018, 11, 2091–2100 CrossRef CAS. M. C. Zafra, P. Lavela, C. Macías, G. Rasines and J. L. Tirado, J. Electroanal. Chem., 2013, 708, 80–86 CrossRef CAS.

P. Srimuk, J. Lee, Ö. Budak, J. Choi, M. Chen, G. Feng, C. Prehal and V. Presser, Langmuir, 2018, 34, 13132–13143 CrossRef CAS. The rationalization of the anion selectivity was also investigated by adapting and fitting some CDI models to the experimental data. Tang et al. 71 adapted the one-dimensional dynamic model for batch CDI desalination proposed by Porada et al. 8 to account for ion mixtures, and for the different diffusion constants of the anions. The authors showed that the model fitted well the dynamic variation of the anions in solutions. Nevertheless, small selectivity values were observed between chloride, fluoride, and nitrate, agreeing well with the selectivity values measured by Pugazhenthiran et al., a study in which the authors used microporous cellulose derived graphitic fibers as CDI electrodes. 72 Pugazhenthiran et al. obtained a selectivity ( ρ) of ≈1.2, 1.3, and 1.4 for Cl −/NO 3 −, Cl −/F −, and Cl −/SO 4 2−, respectively, attributing the modest selectivity to the hydrated radii of the ions (SO 4 2−> F −> NO 3 − ≈ Cl −) ( Fig. 6B). M. A. Lilga, R. J. Orth, J. P. H. Sukamto, S. M. Haight and D. T. Schwartz, Sep. Purif. Technol., 1997, 11, 147–158 CrossRef CAS.

Author Contributions

P. M. Biesheuvel, R. Zhao, S. Porada and A. van der Wal, J. Colloid Interface Sci., 2011, 360, 239–248 CrossRef CAS.

R i and R j are calculated by dividing the effluent concentration by feed concentration of each ion. Fig. 8 Generalized selectivity mechanisms in MCDI based on (A) selective resins, (B) charge repulsion, and (C) ion diffusion in membranes. Ren et al. employed a flow MCDI (FCDI) cell to remove phosphate and ammonium from an aqueous solution. 133 Although it was found to be possible to remove large amounts of phosphate, the selectivity using this cell design was not explored. Further insight about selectivity using FCDI was reported by Bian et al. who studied the best operational conditions for the removal of phosphate and nitrate. 134 They observed a strong increase in the phosphate removal by increasing the carbon loading of the anode. This increase was steeper than that for nitrate (and ammonia), and was ascribed to the physical adsorption of phosphate in addition to electrosorption ( Fig. 6E), similar to the results obtained by Ge et al. On the other hand, for low carbon loadings, FCDI was found to be much more selective towards nitrate (1.1 at 15 wt% carbon loading to 1.7 at 5 wt%).S. Choi, B. Chang, S. Kim, J. Lee, J. Yoon and J. W. Choi, Adv. Funct. Mater., 2018, 28, 1–9 Search PubMed. E. N. Guyes, A. N. Shocron, A. Simanovski, P. M. Biesheuvel and M. E. Suss, Desalination, 2017, 415, 8–13 CAS. A. Hassanvand, G. Q. Chen, P. A. Webley and S. E. Kentish, Water Res., 2018, 131, 100–109 CrossRef CAS. Fig. 2 A graphical timeline depicting the evolution of ion selectivity in CDI and MCDI. The works employing membranes are denoted in italics. The mD model was further improved by allowing the chemical potential term to vary with the micropore salt concentration, thereby eliminating the prediction of unrealistically large adsorption capacities at high salt concentrations. 14 It has also been extended from the one-dimensional case to cell-level, two-dimensional systems, 92 and has been corroborated by molecular dynamic simulations. 93 The mD model was applied to describe a series of CDI developments such as “inverted CDI” by fixing charge in the micropores to emulate chemical treatment, 15 inclusion of surface transport 94 and an explanation of the benefits of pulsed-flow CDI over continuous flow systems. 95

J. Kim, A. Jain, K. Zuo, R. Verduzco, S. Walker, M. Elimelech, Z. Zhang, X. Zhang and Q. Li, Water Res., 2019, 160, 445–453 CrossRef CAS. An ability to predict ion-selectivity will help streamline the efforts being made in this field of CDI, enhancing the strength of the technology to remove ions selectively. Our work takes a step in this direction by putting forward a theory, at the system level, for prediction of ion-selectivity of a class of intercalation electrodes. A logical next step is the investigation of the molecular origins for the preference of electrode materials towards different ions. Further insight into the mechanism of preferential electrosorption of ions can help to tune the selectivity-inducing properties of the electrode material. Hawks et al. 41 carried out molecular dynamics (MD) simulations to elucidate the selective adsorption of NO 3 − over Cl − and SO 4 2− in carbon electrodes. This simulation assisted the authors to understand how hydration of the ions influenced the anion selectivity in very narrow micropores. According to the MD simulations, nitrate and chloride have similar hydration energies, much lower than sulfate, which suggests that sulfate is less prone to rearrange its solvation shell to fit inside of the micropores. At the same time, the higher selectivity of nitrate over chloride is explained by the higher distribution of the water molecules on the equatorial region rather than the perpendicular region of nitrate, suggesting that water molecules are weakly bound on the axial region of nitrate. Since NO 3 − has a delocalized water shell, 41 as predicted by MD simulations, the ion is more prone to fit inside of the slit micropores of the investigated activated carbon. For porous carbon materials, the use of MD simulations can be extended to several other ions, which allows one to predict the ion selectivity based on the surface characteristics of the electrode material. S. Ren, M. Li, J. Sun, Y. Bian, K. Zuo, X. Zhang, P. Liang and X. Huang, Front. Environ. Sci. Eng., 2017, 11, 17 CrossRef.Mrs Sevil Sahin received her BSc degree from the Department of Chemistry at Istanbul Technical University, and her MSc degree from the Department of Pharmaceutical Chemistry at Istanbul University, Turkey. During her MSc research, she synthesized porphyrin derivatives for photodynamic therapy. Since 2017, she is a PhD candidate in the Department of Organic Chemistry at Wageningen University, The Netherlands. Her doctoral research includes, among others, the use of polyelectrolyte multilayers for tuning ion selectivity in capacitive deionization.