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Water scarcity is a dilemma facing much of the global population. Cationintercalation desalination (CID) cells, which use intercalation host compounds(IHCs) in combination with ion-exchange membranes (IEMs), could aid inaddressing this challenge by treating saline water sources. Originally, theperformance of such cells was predicted utilizing continuous flow of salinewater through porous IHC electrodes. Here, we use two-dimensionalporous-electrode theory with concentrated solution transport to evaluate theperformance of various cell architectures where flow occurs through open flowchannels (OFCs) when two IHC electrodes comprised of nickel hexacyanoferrate(NiHCF) are used to store Na+ ions. We show that, when two OFCs are used,cation exchange membranes (CEMs) are adjoined at flow-channel/electrodeinterfaces, and an anion exchange membrane (AEM) is arranged between flowchannels, salt removal increases relative to the original design withflow-through (FT) electrodes. The IEM stacking sequence within such a membraneflow-by (MFB) cell is the fundamental repeat unit for electrodialysis (ED)stacks using many IEMs (CEM/AEM/.../CEM/AEM/CEM) with many diluate streams.Accordingly, we simulate the performance of such ED stacks using NiHCF IHCs,and we predict that salt adsorption capacity (per unit NiHCF mass) is amplifiedby twenty-fold relative to MFB and FT cells, while simultaneously decreasing0.7 M NaCl feed water to 0.2-0.3 M within diluate streams. The generality ofthese findings is further supported by simulations using Na0.44MnO2 IHC insteadof NiHCF. Thus, we propose the use of cation IHCs as alternatives to thegas-evolution reactions used in conventional ED.

Theoretical evaluation of electrochemical cell architectures using cation intercalation electrodes for desalination