Modeling of electrochemical intercalation of lithium into a LiMn2O4 electrode using Green function

Johan, Mohd Rafie; Arof, A. K.

doi:10.1016/j.jpowsour.2007.03.069

Cited by 10 publications

(6 citation statements)

References 20 publications

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“…(19) and (20). The initial set Â init is taken in part from the corresponding literature [3][4][5][6][7][8][9][10][11][12][13][14]19,20,24,[44][45][46][47][48][49][50] and is partially found by best practice. The choice of the variance boundary represents one degree of freedom.…”

Section: Simultaneous Solution Of the Model And The Sensitivitiesmentioning

confidence: 99%

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Experiment-driven electrochemical modeling and systematic parameterization for a lithium-ion battery cell

Schmidt

Bitzer

Imre

et al. 2010

Journal of Power Sources

238

104

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Section: Simultaneous Solution Of the Model And The Sensitivitiesmentioning

confidence: 99%

“…These considerations typically lead to distributed parameter systems, which have been investigated by various authors [5][6][7][8][9][10][11][12][13][14]. Such a model can be reduced to a socalled single-particle (SP) model first proposed in [15].…”

Section: Introductionmentioning

confidence: 99%

Experiment-driven electrochemical modeling and systematic parameterization for a lithium-ion battery cell

Schmidt

Bitzer

Imre

et al. 2010

Journal of Power Sources

238

104

View full text Add to dashboard Cite

“…Furthermore, experiments show that (1) the mobility of Li ions along the c -axis in rutile is much larger than that in the ab -plane; (2) irreversible phase transition from cubic TiO 2 to rocksalt-type hexagonal LiTiO 2 or amorphous-like structures may take place due to the volume expansion in the ab -plane during Li insertion into the nanometer-sized rutile; and (3) stresses associated with volume expansion could impact charged particle transport kinetics and structure integration. Although many mathematical models have been developed to describe the charged particle transport in fuel cells and batteries, − microstructure, inhomogeneous, and anisotropic structural, thermodynamic, and kinetic properties and stresses are often ignored. These aspects have so far been challenging to incorporate because they are intrinsically multiscale phenomena that can span from the atomic scale to the macroscopic scale.…”

Section: Introductionmentioning

confidence: 99%

Mesoscale Phase-Field Modeling of Charge Transport in Nanocomposite Electrodes for Lithium-Ion Batteries

Rosso

et al. 2012

J. Phys. Chem. C

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A phase-field model is developed to investigate the influence of microstructure, thermodynamic and kinetic properties, and charging conditions on charged particle transport in nanocomposite electrodes. Two sets of field variables are used to describe the microstructure. One is comprised of the order parameters describing size, orientation, and spatial distributions of nanoparticles, and the other is comprised of the concentrations of mobile species. A porous nanoparticle microstructure filled with electrolyte is taken as a model system to test the phase-field model. Inhomogeneous and anisotropic dielectric constants and mobilities of charged particles, and stresses associated with lattice deformation due to Li-ion insertion/extraction, are considered in the model. Iteration methods are used to find the elastic and electric fields in an elastically and electrically inhomogeneous medium. The results demonstrate that the model is capable of predicting charge separation associated with the formation of a double layer at the electrochemical interface between solid and electrolyte, and the effect of microstructure, inhomogeneous and anisotropic thermodynamic and kinetic properties, charge rates, and stresses on voltage versus current density and capacity during charging and discharging.

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“…27 Green's function approach has been used to solve the material balance equation in solution phase of a thin film electrode under a galvanostatic discharge condition. 28 In addition to the limited cases where an exact solution is possible, approximate analytical solutions have also been developed in order to reduce the complexity and required computational time. An example is the Parabolic Profile approximation (PP) method, in which the concentration profile in a spherical electrode particle is assumed to be a second, fourth, or sixth order polynomial.…”

mentioning

confidence: 99%

“…While the use of Green's functions in heat transfer problems is quite common , 39,40 only limited work exists on the use of this tool for species diffusion problems in electrochemical systems. 28 This paper presents an exact analytical solution for Li-ion diffusion in thin film and spherical electrodes, as well as composite two-layer electrodes with arbitrary initial conditions and time-dependent flux boundary condition using Green's function approach. The exact solution presented here is validated against both numerical simulations and previous studies.…”

mentioning

confidence: 99%

Analytical Modeling of Solid Phase Diffusion in Single-Layer and Composite Electrodes Under Time-Dependent Flux Boundary Condition

Parhizi

Jain

2020

J. Electrochem. Soc.

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Mathematical modeling of species diffusion in Li-ion cell electrodes is critical for improving performance and efficiency of electrochemical energy storage. There is a relative lack of literature in this direction for time-dependent flux boundary conditions. In this work, the method of Green’s functions is used to solve the solid-phase diffusion problem in electrodes with a time-dependent flux boundary condition. While Green’s functions have been used extensively for thermal transport problems, there is limited past work on application of Green’s functions for solving species transport problems in electrochemical systems. The concentration distribution is first determined for a thin film electrode and spherical electrode particle. The method is then extended to determine the concentration profile in two-layer composite electrodes. The mathematical models presented in this work are validated by comparison with past studies and numerical simulations. Concentration profiles for a variety of time-dependent boundary conditions are presented. It is expected that improved understanding of diffusion under time-dependent flux boundary conditions may help improve the performance and efficiency of Li-ion based electrochemical energy storage devices and systems.

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Modeling of electrochemical intercalation of lithium into a LiMn2O4 electrode using Green function

Cited by 10 publications

References 20 publications

Experiment-driven electrochemical modeling and systematic parameterization for a lithium-ion battery cell

Experiment-driven electrochemical modeling and systematic parameterization for a lithium-ion battery cell

Mesoscale Phase-Field Modeling of Charge Transport in Nanocomposite Electrodes for Lithium-Ion Batteries

Analytical Modeling of Solid Phase Diffusion in Single-Layer and Composite Electrodes Under Time-Dependent Flux Boundary Condition

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