Predicting capacitive deionization processes using an electrolytic-capacitor (ELC) model: 2D dynamics, leakages, and multi-ion solutions

Nordstrand, Johan; Zuili, Léa; Toledo-Carrillo, Esteban; Dutta, Joydeep

doi:10.1016/j.desal.2021.115493

Cited by 15 publications

(17 citation statements)

References 50 publications

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“…In some works, this is addressed by introducing an empirical square dependence between the capacitance and the charging state . Looking at works without this correction factor, the dynamic Langmuir (DL) model is more numerically accurate because that model does not require that the adsorption zero-intercept is at zero volts . Some of the inherent physical square dependence is thus implicit in the model.…”

Section: Resultsmentioning

confidence: 99%

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Fully 3D Modeling of Electrochemical Deionization

2023

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Electrochemical deionization devices are crucial for meeting global freshwater demands. One such is capacitive deionization (CDI), which is an emerging technology especially suited for brackish water desalination. In this work, we extend an electrolytic capacitor (ELC) model that exploits the similarities between CDI systems and supercapacitor/battery systems. Compared to the previous work, we introduce new implementational strategies for enhanced stability, a more detailed method of describing charge efficiency, layered integration of leakage reactions, and theory extensions to new material and operational conditions. Thanks to the stability and flexibility the approach brings, the current work can present the first fully coupled and spatiotemporal three-dimensional (3D) CDI model. We hope that this can pave the way toward generalized and full-scale modeling of CDI units under varying conditions. A 3D model can be beneficial for investigating asymmetric CDI device structures, and the work investigates a flow-through device structure with inlet and outlet pipes at the center and corners, respectively. The results show that dead (low-flow) areas can reduce desalination rates while also raising the total leakage. However, the ionic flux in this device is still enough under normal operating conditions to ensure reasonable performance. In conclusion, researchers will now have some flexibility in designing device structures that are not perfectly symmetric (real-life case), and hence we share the model files to facilitate future research with 3D modeling of these electrochemical deionization devices.

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Section: Resultsmentioning

confidence: 99%

“…Recently, we introduced an electrolytic capacitor (ELC) model for CDI . The model used a new approach based on merging battery-style theory with key concepts in CDI.…”

Section: Introductionmentioning

confidence: 99%

Fully 3D Modeling of Electrochemical Deionization

2023

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“…An analogy can be found in the field of electrically mediated adsorption on porous materials, such as sodium ions on activated carbon cloths. [53][54][55] These systems have traditionally been modeled through the formation of electrical double layers (EDLs). 56,57 However, the Langmuir adsorption isotherm has also worked surprisingly well to model the results in many studies.…”

Section: Discussionmentioning

confidence: 99%

Electrostatic interactions and physisorption: mechanisms of passive cesium adsorption on Prussian blue

Nordstrand

Kloo

2022

Phys. Chem. Chem. Phys.

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“…This work presents simulations using the ELC model as derived in our Ref. (Nordstrand, Zuili, et al, 2022). That work only uses it to simulate a single-cell device, and we here extend the geometry to stacks of CDI cells.…”

Section: Methodsmentioning

confidence: 99%

“…In this work, we present an extended model and simulate different configurations of large stacks of CDI cells in 2D. This is possible based on a recently published model, named the electrolytic-capacitor (ELC) model (Nordstrand, Zuili, et al, 2022). The model has, so far, only been used in single-cell simulations.…”

Section: Introductionmentioning

confidence: 99%

2D Simulations of Water Treatment with Upscaled Capacitive Deionization

Nordstrand¹,

Dutta²

2022

Proceedings of the 10th International Workshop on Simulation for Energy, Sustainable Development &Amp; Environment, SESDE

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Clean water is a major global challenge. Meanwhile, capacitive deionization (CDI) is an emerging desalination technology that could help produce and reuse water. As the technology develops, the modeling of upscaled systems is becoming increasingly relevant. However, the inherent complexities in the CDI process have historically made such simulations unfeasible. In this work, we leverage the newly published electrolytic-capacitor (ECL) model to efficiently simulate parallel/serial flow modes in CDI stacks. The simulations are based on finite-element methods (FEM) that couple differential equations for describing local charging and ionic transport inside the device. The results show that both parallel and serial connections scale incredibly well with the system size. Still, parallel connections have the advantage of requiring lower pumping energy. Overall, we find that the relationship between adsorption capacity, flowrate, and compartment size is a good indicator of performance. In conclusion, the ELC model is promising for simulating upscaled CDI.

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Predicting capacitive deionization processes using an electrolytic-capacitor (ELC) model: 2D dynamics, leakages, and multi-ion solutions

Cited by 15 publications

References 50 publications

Fully 3D Modeling of Electrochemical Deionization

Fully 3D Modeling of Electrochemical Deionization

Electrostatic interactions and physisorption: mechanisms of passive cesium adsorption on Prussian blue

2D Simulations of Water Treatment with Upscaled Capacitive Deionization

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