Abstract
The global need for freshwater rapidly drives the development of emerging and efficient freshwater-production methods such as capacitive deionization (CDI). To allow the CDI technique to continue to grow, simulations can be important for tractably describing, predicting, and optimizing the desalination processes. Amongst the disparate simulation tools available, the Randles-circuit model is widely used in electrochemical measurements but its simplified structure limits its use for wider CDI operations. Thus, we herein describe a systematic stepwise process for widely developing CDI models, and as a proof-of-concept, transform the core Randles circuit into an extended Randles circuit (ERaC) that is highly relevant for CDI systems. Experimental data from the literature extensively verify that the ERaC model accuracy now describes charge storage, charging rate, ion adsorption, and current leakages for a variety of structural and operational parameters, such as asymmetric electrodes, different ion concentrations, and the applied voltage. In conclusion, this developed stepwise process can systematically and effectively create, enhance, and expand CDI models. Thus, researchers will embrace this method of model development, and benefit from the broad usefulness of the proposed ERaC model for a wide range of CDI operations.
Highlights
To cite this article: Johan Nordstrand and Joydeep Dutta 2021 J
Coupling the extended model to external flow computations. Because this is the Results section, the following subsections will concretely demonstrate this method by strongly and systematically extending the Randles-circuit model to accurately incorporate a wider range of Capacitive deionization (CDI) operations
The Randles circuit is a simple, tractable, and commonly used model in electrochemical measurements, but its simplicity limits its applicability for wider operational conditions in applications such as desalination by capacitive deionization
Summary
To cite this article: Johan Nordstrand and Joydeep Dutta 2021 J. A driving voltage across the electrodes rapidly induces an electric field that attracts ions from water and makes them adsorbs on the electrodes’ surfaces.[16] When the adsorption begins to build up a high salt content on the electrodes, the adsorption slows down,[16] necessitating regeneration of the electrodes wherein the voltage is removed to release the ions as wastewater.[23] Due to the strong dependence of CDI on structural,[24,25,26] material,[23,26,27,28,29,30,31,32,33,34,35,36,37,38] and operational[39,40,41,42,43] conditions, researchers have found models to be useful for describing, predicting, and optimizing device performance
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