Mathematical Modeling of Lithium Batteries

Thomas, Karen E.; Newman, John; Darling, Robert M.

doi:10.1007/0-306-47508-1_13

Cited by 209 publications

(216 citation statements)

References 99 publications

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“…Mathematical modeling of Li-ion batteries on cell resolved level was pioneered by the work of Newman and his coworkers [3,4,5] and extendend and refined by many other authors [6,7,8]. The modeling approaches are based on transport equations for Li ions and charges in the electrolyte as well as in the active particles of cathode and anode under isothermal conditions.…”

Section: Introductionmentioning

confidence: 99%

Thermodynamic consistent transport theory of Li-ion batteries

Latz

Zausch

2011

Journal of Power Sources

188

220

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Most Li ion insertion batteries consist of a porous cathode, a separator filled with electrolyte and an anode, which very often also has some porous structure. The solid part especially in the cathode is usually produced by mixing a powder of the actual active particles, in which Li ions will be intercalated, binder and carbon black to enhance the electronic conductivity of the electrode. As a result the porous structure of the electrodes is very complex, leading to complex potential, ion and temperature distributions within the electrodes. The intercalation and deintercalation of ions cannot be expected to be homogeneously distributed over the electrode due to the different transport properties of electrolyte and active particles in the electrode and the complex three-dimensional pore structure of the electrode. The influence of the final microstructure on the distribution of temperature, electric potential and ions within the electrodes is not known in detail, but may influence strongly the onset of degradation mechanisms. For being able to numerically simulate the transport phenomena, the equations and interface conditions for ion, charge and heat transport within the complex structure of the electrodes and through the electrolyte filled separator are needed. We will present a rigorous derivation of these equations based exclusively on general principles of nonequilibrium thermodynamics. The theory is thermodynamically consistent i.e. it guarantees strictly positive entropy production. The irreversible and reversible sources of heat are derived within the theory. Especially the various contribution to the Peltier heat due to the intercalation of ions are obtained as a result of the theory

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Section: Introductionmentioning

confidence: 99%

Thermodynamic consistent transport theory of Li-ion batteries

Latz

Zausch

2011

Journal of Power Sources

188

220

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“…System modeling [4] of lithium polymer [7] and lithium ion polymer batteries [5,6] shows that during the discharge and charge of these batteries, substantial concentration gradients develop within the composite electrodes and adjacent to the lithium electrode.…”

Section: Resultsmentioning

confidence: 99%

“…Since its known that the mobility of polymers is considerably altered in the presence of nanoparticles [1,2] and surfaces [3], it is important to investigate the ion motion in the regions close to the electrodes. Battery system modeling of gel and dry polymer systems [4][5][6][7] shows that much of the performance loss occurs in the composite structures where the ion transport properties can be quite different from the bulk due to the influence of the surfaces. The recent intense interest in the use of ceramic nanoparticle filler material to alter the transport properties of lithium salts in polymer electrolytes [8][9][10][11][12][13][14][15][16][17][18][19] has generated a considerable body of useful data in this respect that can be used to understand the behavior of composite electrodes as well as membranes.…”

Section: Introductionmentioning

confidence: 99%

Interfacial behavior of polymer electrolytes

Kerr¹,

Han²,

Liu³

et al. 2004

Electrochimica Acta

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Abstract.Evidence is presented concerning the effect of surfaces on the segmental motion of PEO-based polymer electrolytes in lithium batteries. For dry systems with no moisture the effect of surfaces of nano-particle fillers is to inhibit the segmental motion and to reduce the lithium ion transport. These effects also occur at the surfaces in composite electrodes that contain considerable quantities of carbon black nano-particles for electronic connection. The problem of reduced polymer mobility is compounded by the generation of salt concentration gradients within the composite electrode. Highly concentrated polymer electrolytes have reduced transport properties due to the increased ionic cross-linking. Combined with the interfacial interactions this leads to the generation of low mobility electrolyte layers within the electrode and to loss of capacity and power capability. It is shown that even with planar lithium metal electrodes the concentration gradients can significantly impact the interfacial impedance. The interfacial impedance of lithium/PEO-LiTFSI cells varies depending upon the time elapsed since current was turned off after polarization. The behavior is consistent with relaxation of the salt concentration gradients and indicates that a portion of the interfacial impedance usually attributed to the SEI layer is due to concentrated salt solutions next to the electrode surfaces that are very resistive. These resistive layers may undergo actual phase changes in a non-uniform manner and the possible role of the reduced mobility polymer layers in dendrite initiation and growth is also explored. It is concluded that PEO and ethylene oxide-based polymers are less than ideal with respect to this interfacial behavior.Introduction.

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“…Among the electrochemical Li-ion battery models, the Pseudo-two-Dimensional (P2D) model and the Single Particle Model (SPM) appear to be the most popular. 2,7,8 The P2D model rests on (1) the porous electrode theory; (2) the concentrated solution theory; and (3) the kinetics equations. Its predictions are accurate and have shown repeatedly good agreement with experimental data.…”

Section: -3mentioning

confidence: 99%

“…Its predictions are accurate and have shown repeatedly good agreement with experimental data. 2,7,9 The SPM, on the other hand, is a simplified version of the P2D model. The SPM ignores the change in the electrolyte properties.…”

Section: -3mentioning

confidence: 99%

An Inverse Method for Estimating the Electrochemical Parameters of Lithium-Ion Batteries

Jokar

Rajabloo

Désilets

et al. 2016

J. Electrochem. Soc.

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An electrochemical Parameter Estimation (PE) study of lithium-ion batteries for different materials is presented. The PE methodology is developed in Part I of the study and the challenges on the different materials for the positive electrode including LiCoO 2 , LiMn 2 O 4 and LiFePO 4 are examined in Part II. The most influential electrochemical parameters of the Li-ion battery are estimated by means of an inverse method. The inverse method rests on five elements: the input parameters, a direct model, the reference data, an objective function and an optimizer. Eight electrochemical variables are considered as the target of the PE study. A simplified version of Pseudo-two-Dimensional (P2D) model is developed for the direct model. The P2D model predictions coupled to a random noise function are employed to generate the reference data. The data include the cell potential values with respect to the battery capacity at low and high discharge rates. The least-squared function and Genetic Algorithm are employed as the objective function and its optimizer, respectively. The best time domain for the estimation of each parameter is calculated by using a sensitivity analysis performed for different discharge curves. Results show that the methodology remains accurate and stable at both low and high discharge rates. The simultaneous high power and energy density of Lithium-ion (Li-ion) batteries have made it the preferred device for storing electricity. As a result, Li-ion batteries are increasingly used in various applications including electronics and the automotive industry. Regardless of the shape and of the battery pack arrangement, the internal structure of the battery usually comprises four main components: Two electrodes, positive and negative, an electrolyte, and a separator. These components are made of materials that have been gradually modified over the years so as to improve the efficiency, the safety and the performance of the batteries and to reduce their cost. 1-3A Battery Management System (BMS) is crucial for monitoring the operation of the battery pack. The BMS must interact with all the elements of the system in order to control it and to protect the Li-ion cells. The intelligence of the BMS is based on a mathematical model that simulates and predicts the different operating conditions of the Li-ion battery pack. In high tech and automotive industries, the BMS usually relies on empirical-based models. These models are simple and provide fast response. They cannot however predict the performance of the battery as it ages. Moreover, they are only applicable to a specific cell, i.e., they cannot be transposed to other battery packs without recalibration. [4][5][6] Electrochemical-based models of Li-ion batteries, on the other hand, overcome these shortcomings. These models rest on chemical/electrochemical kinetics and transport equations. These Li-ion battery models are more complicated and CPU time-consuming than empirical based models. They are, on the other hand, more versatile and they provide reliable a...

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Mathematical Modeling of Lithium Batteries

Cited by 209 publications

References 99 publications

Thermodynamic consistent transport theory of Li-ion batteries

Thermodynamic consistent transport theory of Li-ion batteries

Interfacial behavior of polymer electrolytes

An Inverse Method for Estimating the Electrochemical Parameters of Lithium-Ion Batteries

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