Transport of Ions in Mesoporous Carbon Electrodes during Capacitive Deionization of High-Salinity Solutions

Sharma, Ketki; Kim, Y.-H.; Gabitto, Jorge; Mayes, Richard T.; Yiacoumi, Sotira; Bilheux, Hassina Z.; Walker, Lakeisha; Dai, Sheng; Tsouris, Costas

doi:10.1021/la5043102

Cited by 59 publications

(49 citation statements)

References 41 publications

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“…Effects of the constituent elements of a material can be taken into account through μ [24]. Further details of neutron imaging are available elsewhere [24][25][26].…”

Section: Neutron Imaging Principlementioning

confidence: 99%

“…Lithium chloride ( 6 LiCl) solution was supplied to the cell for neutron imaging experiments during the various steps of the capacitive energy extraction. 6 LiCl was selected since it is a 1-1 symmetric electrolyte like NaCl [26]. The experiments were conducted in four typical steps for capacitive energy extraction:…”

Section: Neutron Imaging Experimentsmentioning

confidence: 99%

“…A modification of the model originally proposed by Biesheuvel and Bazant [32] with volume average equations derived by Gabitto and Tsouris [43] (also see Sharma et al [26,44]) was used for simulating the charging and discharging steps. Details of the model are presented below.…”

Section: Theoretical Modelmentioning

confidence: 99%

“…Neutron imaging is a useful technique that can be used to visualize the spatial distribution of certain elements in materials. Neutrons passing through a material can be captured by neutronabsorbing elements, and the resulting spatial neutron distribution can be instantaneously visualized using neutron sensitive scintillators and imaging devices [24][25][26][27]. Neutron imaging techniques have been applied to investigate transport of ions in porous carbon electrodes [24][25][26], as well as quantify the amount of water in fuel cells [27][28][29] and soil [30,31].…”

Section: Introductionmentioning

confidence: 99%

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Analysis and simulation of a blue energy cycle

et al. 2016

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The mixing process of fresh water and seawater releases a significant amount of energy and is a potential source of renewable energy. The so called 'blue energy' or salinitygradient energy can be harvested by a device consisting of carbon electrodes immersed in an electrolyte solution, based on the principle of capacitive double layer expansion (CDLE). In this study, we have investigated the feasibility of energy production based on the CDLE principle. Experiments and computer simulations were used to study the process. Mesoporous carbon materials, synthesized at the Oak Ridge National Laboratory, were used as electrode materials in the experiments. Neutron imaging of the blue energy cycle was conducted with cylindrical mesoporous carbon electrodes and 0.5 M lithium chloride as the electrolyte solution. For experiments conducted at 0.6 V and 0.9 V applied potential, a voltage increase of 0.061 V and 0.054 V was observed, respectively. From sequences of neutron images obtained for each step of

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“…Effects of the constituent elements of a material can be taken into account through μ [24]. Further details of neutron imaging are available elsewhere [24][25][26].…”

Section: Neutron Imaging Principlementioning

confidence: 99%

Section: Neutron Imaging Experimentsmentioning

confidence: 99%

Section: Theoretical Modelmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Analysis and simulation of a blue energy cycle

et al. 2016

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“…where u is the velocity of the solution, p its pressure, and µ its dynamic viscosity and is considered to be constant. Using the NP equation, the flux of ionic species n in the solution is given by [5,27,35] N n = −D n ∇c n + uc n − D n z n F RT c n ∇φ,…”

Section: Introductionmentioning

confidence: 99%

Modeling transport of charged species in pore networks: Solution of the Nernst–Planck equations coupled with fluid flow and charge conservation equations

Agnaou

Sadeghi

Tranter

et al. 2020

Computers & Geosciences

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A pore network modeling (PNM) framework for the simulation of transport of charged species, such as ions, in porous media is presented. It includes the Nernst-Planck (NP) equations for each charged species in the electrolytic solution in addition to a charge conservation equation which relates the species concentration to each other. Moreover, momentum and mass conservation equations are adopted and there solution allows for the calculation of the advective contribution to the transport in the NP equations.The proposed framework is developed by first deriving the numerical model equations (NMEs) corresponding to the partial differential equations (PDEs) based on several different time and space discretization schemes, which are compared to assess solutions accuracy. The derivation also considers various charge conservation scenarios, which also have pros and cons in terms of speed and accuracy. Ion transport problems in arbitrary pore networks were considered and solved using both PNM and finite element method (FEM) solvers. Comparisons showed an average deviation, in terms of ions concentration, between PNM and FEM below 5% with the PNM simulations being over 10 4 times faster than the FEM ones for a medium including about 10 4 pores. The improved accuracy is achieved by utilizing more accurate discretization schemes for both the advective and migrative terms, adopted from the CFD literature. The NMEs were implemented within the open-source package OpenPNM based on the iterative Gummel algorithm with relaxation.This work presents a comprehensive approach to modeling charged species transport suitable for a wide range of applications from electrochemical devices to nanoparticle movement in the subsurface. (Jeff Gostick) 1 Model development, code implementation, manuscript drafting. 2 Model development, code implementation. 3 Code implementation, revising the manuscript. 4 Study design, code implementation.

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Enabling Superior Sodium Capture for Efficient Water Desalination by a Tubular Polyaniline Decorated with Prussian Blue Nanocrystals

et al. 2020

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The application of electrochemical energy storage materials to capacitive deionization (CDI), a low‐cost and energy‐efficient technology for brackish water desalination, has recently been proven effective in solving problems of traditional CDI electrodes, i.e., low desalination capacity and incompatibility in high salinity water. However, Faradaic electrode materials suffer from slow salt removal rate and short lifetime, which restrict their practical usage. Herein, a simple strategy is demonstrated for a novel tubular‐structured electrode, i.e., polyaniline (PANI)‐tube‐decorated with Prussian blue (PB) nanocrystals (PB/PANI composite). This composite successfully combines characteristics of two traditional Faradaic materials, and achieves high performance for CDI. Benefiting from unique structure and rationally designed composition, the obtained PB/PANI exhibits superior performance with a large desalination capacity (133.3 mg g−1 at 100 mA g−1), and ultrahigh salt‐removal rate (0.49 mg g−1 s−1 at 2 A g−1). The synergistic effect, interfacial enhancement, and desalination mechanism of PB/PANI are also revealed through in situ characterization and theoretical calculations. Particularly, a concept for recovery of the energy applied to CDI process is demonstrated. This work provides a facile strategy for design of PB‐based composites, which motivates the development of advanced materials toward high‐performance CDI applications.

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Transport of Ions in Mesoporous Carbon Electrodes during Capacitive Deionization of High-Salinity Solutions

Cited by 59 publications

References 41 publications

Analysis and simulation of a blue energy cycle

Analysis and simulation of a blue energy cycle

Modeling transport of charged species in pore networks: Solution of the Nernst–Planck equations coupled with fluid flow and charge conservation equations

Enabling Superior Sodium Capture for Efficient Water Desalination by a Tubular Polyaniline Decorated with Prussian Blue Nanocrystals

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