Simulation of potential and species distribution in a Li<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si2.svg" display="inline" id="d1e892"><mml:mrow><mml:mo>|</mml:mo><mml:mo>|</mml:mo></mml:mrow></mml:math>Bi liquid metal battery using coupled meshes

Duczek, Carolina; Weber, Norbert; Godinez-Brizuela, Omar E.; Weier, Tom

doi:10.1016/j.electacta.2022.141413

Cited by 7 publications

(6 citation statements)

References 73 publications

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“…Any kind of fluid flow, especially caused by thermal convection, will have an influence on self‐discharge and the Coulombic efficiency, too. [ 78 ] Despite everything, the investigated cell showed a stable performance for 250 cycles with a slight performance fluctuation in terms of energy and Coulombic efficiency, yet without a significant change in cell resistance except for the initial improvement.…”

Section: Resultsmentioning

confidence: 99%

Membrane‐Free Alkali Metal‐Iodide Battery with a Molten Salt

et al. 2023

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in the range of 200-4000 mAh g À1 , and their highly negative redox potential below À2.5 V versus standard hydrogen electrode (SHE) can lead to a high cell operating voltage. These characteristics can enable high specific energies, which are generally given in the unit Wh kg À1 for expressing the energy-storage performance per mass of active materials or the system's total mass. However, the development of rechargeable batteries with alkali and alkaline earth metals has been extremely challenging due to the formation of dendrites, causing safety, stability, and efficiency issues. [1,4,5] As a solution to dendrite formation, solid-state electrolytes can be used as an alternative to conventional electrolytes dissolved in aqueous or organic solvents. However, according to recent studies, [5][6][7][8] dendrites can still penetrate the solid-state electrolytes, and the solid-solid interface of such energy-storage systems may cause other issues such as limited electrochemical stability window and physical contact loss between the electrolyte and the metal.Another effective approach for handling the dendrite formation is to employ liquid metal anodes. [9][10][11][12][13][14] At temperatures above 25 °C, the redox reactions of alkali and alkaline earth metals can be utilized in a molten state either in its pure metal form [13,15] or

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Section: Resultsmentioning

confidence: 99%

Membrane‐Free Alkali Metal‐Iodide Battery with a Molten Salt

et al. 2023

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“…In this article, we have proposed a new formulation of discontinuous electrical potential distributions based on the magnetic field. We have first presented a formulation of these distributions based on the electrical potential as is done in a FVM approach [8,9,12]. We have written a corresponding FEM numerical code that we have validated in a cylindrical domain, considering continuous and discontinuous distributions of electrical potential.…”

Section: Discussionmentioning

confidence: 99%

“…It can be modelled by a macroscopic approach where the continuous change of electric potential over the electrical double layer is replaced by a discrete jump in electrical potential (see [8] and references therein). This approach has been recently used in a Finite Volume Method (FVM) model coupled with a microscopic description of potential difference and different overpotentials in the electrolyte and the electrodes that influence the cell voltage of a battery [9]. It is extremely valuable in that it allows not only to model electrochemical cells up to the meter scale, but also to take into account all the spatial variations of overvoltages and the three-dimensional distribution of current and potential.…”

Section: Introductionmentioning

confidence: 99%

“…The objective of this article is twofold: we intend to use the mentioned macroscopic approach to model the discontinuous electric potential distributions between an electrode and an electrolyte using two different formulations, one based on a formulation with the electrical potential directly (as done in [8,9,12]) and a new one based on the magnetic field. The transmission problem on the electrode-electrolyte interfaces is represented by interface jump conditions on the electrical potential and the curl of the magnetic field divided by the electrical conductivity, respectively, and is enforced via the use of interior penalty Galerkin methods.…”

Section: Introductionmentioning

confidence: 99%

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Magnetic field based finite element method for magneto-static problems with discontinuous electric potential distributions

Bénard¹,

Cappanera²,

Herreman³

et al. 2024

Comptes Rendus. Mécanique

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We introduce two finite element formulations to approximate magneto-static problems with discontinuous electric potential based respectively on the electrical scalar potential and the magnetic field. This work is motivated by our interest in Liquid Metal Batteries (LMBs), a promising technology for storing intermittent renewable sources of energy in large scale energy storage devices. LMBs consist of three liquid layers stably stratified and immiscible, with a light liquid metal on top (negative electrode), a molten salt in the middle (electrolyte) and a heavier liquid metal on bottom (positive electrode). Energy is stored in electrical potential differences that can be modeled as jumps at each electrode-electrolyte interface. This paper focuses on introducing new finite element methods for computing current and potential distributions, which account for internal voltage jumps in liquid metal batteries. Two different formulations that use as primary unknowns the electrical potential and magnetic field, respectively, are presented. We validate them using various manufactured test cases, and discuss their applications for simulating the current distribution during the discharge phase in a liquid metal battery.

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“…For supporting electrolytes only, a simplified model based on a constant electrical conductivity was implemented, where the electric potential is eliminated from the species transport equations. 15,[20][21][22] Weber et al [23][24][25] and Duczek et al 26 developed a model to investigate the mass transfer and electrovortex flow in liquid metal batteries, thereby neglecting interface kinetics. The most critical aspect which hindered earlier development of a general model seems to be the electrode kinetics in form of a Butler-Volmer equation, which creates strong and nonlinear coupling between the current density and the potential, thereby hampering convergence in the simulations.…”

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confidence: 99%

A Simulation Framework for Electrochemical Processes with Electrolyte Flow

Huang

Weber

Mutschke

2023

J. Electrochem. Soc.

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Software tools for simulating electrochemical processes (e.g. COMSOL Multiphysics, ELSYCA) are mostly of the commercial type. In addition, three-dimensional simulations in complex cell geometries are known to become resource-expensive, as typically thin concentration boundary layers must be resolved. This work presents a simulation framework for electrochemical processes based on the open source platform OpenFOAM. The finite volume method used and combined with domain decomposition benefits from multi-core computer architectures. Our framework takes into account electrolyte flow, which is well known to affect mass transfer, and allows us to consider multi-species electrolytes and forcing of the electrolyte. The stability and fast convergence of the method presented is found to rely on the linearization of the Butler-Volmer condition in the iterative solver. The framework is validated against an analytical solution valid for simplified conditions and an electrodeposition process at a conically shaped electrode in an external magnetic field. The latter exhibits transient departure of the concentration boundary layer from the cathode, and excellent agreement with COMSOL simulation results is found.

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Simulation of potential and species distribution in a Li||Bi liquid metal battery using coupled meshes

Cited by 7 publications

References 73 publications

Membrane‐Free Alkali Metal‐Iodide Battery with a Molten Salt

Membrane‐Free Alkali Metal‐Iodide Battery with a Molten Salt

Magnetic field based finite element method for magneto-static problems with discontinuous electric potential distributions

A Simulation Framework for Electrochemical Processes with Electrolyte Flow

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