Comparison of Modeling Predictions with Experimental Data from Plastic Lithium Ion Cells

Doyle, Marc; Newman, John; Gozdz, A. S.; Schmutz, Caroline; Tarascon, Jean‐Marie

doi:10.1149/1.1836921

Cited by 1,365 publications

(1,081 citation statements)

References 11 publications

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“…Doyle et al [22] introduced a fourth-order polynomial function for f dc that accurately fits the experimental conductivity data collected for various liquid/salt/polymer systems. Parameters for a system consisting of a 2:1 volume mixture of ethylene carbonate and dimethyl carbonate at 25 • C can be found in the literature [21,4].…”

Section: Charge Conservation For Electrolyte Phasementioning

confidence: 99%

Parameter estimation of an electrochemistry-based lithium-ion battery model

Masoudi

Uchida

McPhee

2015

Journal of Power Sources

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Parameters for an electrochemistry-based Lithium-ion battery model are estimated using the homotopy optimization approach. A high-fidelity model of the battery is presented based on chemical and electrical phenomena. Equations expressing the conservation of species and charge for the solid and electrolyte phases are combined with the kinetics of the electrodes to obtain a system of differential-algebraic equations (DAEs) governing the dynamic behavior of the battery. The presence of algebraic constraints in the governing dynamic equations makes the optimization problem challenging: a simulation is performed in each iteration of the optimization procedure to evaluate the objective function, and the initial conditions must be updated to satisfy the constraints as the parameter values change. The ε-embedding method is employed to convert the original DAEs into a singularly perturbed system of ordinary differential equations, which are then used to simulate the system efficiently. The proposed numerical procedure demonstrates excellent perfor- * Corresponding author. The final publication is available at Elsevier via http://doi.org/10.1016/j.jpowsour.2015.04.154 © 2015 mance in the estimation of parameters for the Lithium-ion battery model, compared to direct methods that are either unstable or incapable of converging. The obtained results and estimated parameters demonstrate the efficacy of the proposed simulation approach and homotopy optimization procedure.

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Section: Charge Conservation For Electrolyte Phasementioning

confidence: 99%

Parameter estimation of an electrochemistry-based lithium-ion battery model

Masoudi

Uchida

McPhee

2015

Journal of Power Sources

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“…We followed the work by the Newman group, where the Butler−Volmer model was used as the governing equation. 41,42 At the top of the potential barrier, the polysulfide phase is not yet formed. Consequently, the electrochemical reaction is still within the single-phase regime…”

Section: Journal Of the American Chemical Societymentioning

confidence: 99%

High-Capacity Micrometer-Sized Li₂S Particles as Cathode Materials for Advanced Rechargeable Lithium-Ion Batteries

Yang¹,

Zheng²,

et al. 2012

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Li 2 S is a high-capacity cathode material for lithium metal-free rechargeable batteries. It has a theoretical capacity of 1166 mAh/g, which is nearly 1 order of magnitude higher than traditional metal oxides/phosphates cathodes. However, Li 2 S is usually considered to be electrochemically inactive due to its high electronic resistivity and low lithiumion diffusivity. In this paper, we discover that a large potential barrier (∼1 V) exists at the beginning of charging for Li 2 S. By applying a higher voltage cutoff, this barrier can be overcome and Li 2 S becomes active. Moreover, this barrier does not appear again in the following cycling. Subsequent cycling shows that the material behaves similar to common sulfur cathodes with high energy efficiency. The initial discharge capacity is greater than 800 mAh/g for even 10 μm Li 2 S particles. Moreover, after 10 cycles, the capacity is stabilized around 500−550 mAh/g with a capacity decay rate of only ∼0.25% per cycle. The origin of the initial barrier is found to be the phase nucleation of polysulfides, but the amplitude of barrier is mainly due to two factors: (a) charge transfer directly between Li 2 S and electrolyte without polysulfide and (b) lithium-ion diffusion in Li 2 S. These results demonstrate a simple and scalable approach to utilizing Li 2 S as the cathode material for rechargeable lithium-ion batteries with high specific energy. ■ INTRODUCTIONRechargeable lithium-ion batteries have been widely used in portable electronics and are promising for applications in electric vehicles and smart grids. 1−4 However, due to limited capacity in both electrodes, the specific energy of Li-ion batteries needs to be improved significantly to fulfill the requirements in these applications. 5,6 Significant improvement has been achieved in the development of high-capacity materials to replace carbon-based anodes, such as silicon 7−12 and tin. 13 However, state-of-the-art cathode materials have a capacity less than one-half of the carbon anode. Accordingly, breakthroughs in cathodes are urgently needed to increase the specific energy of lithium-ion batteries. Current metal oxide and phosphate cathodes possess an intrinsic capacity limit of ∼300 mAh/g, with a potential of maximum 130% increase in the specific energy if all the capacity can be used. 14,15 In contrast, Li 2 S has a specific capacity of 1166 mAh/g, four times that of the limit in oxide/phosphate cathodes. 15,16 Considering pairing with Si anodes with 2000 mAh/g capacity, the specific energy of a Li 2 S-based lithium-ion battery could be 60% higher than the theoretical limit of metal oxide/phosphate counterparts ( Figure 1A, see Supporting Information for details) and three times that of the current LiCoO 2 /graphite system. Moreover, Li 2 S could be paired with a lithium-free anode, preventing safety concerns and low Coulomb efficiency of lithium metal in Li/S batteries. 17,18 The main hindrance for utilizing Li 2 S is that it is both electronically and ionically insulating. Therefore, Li 2 S was...

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“…The derivation of the Butler-Volmer equation is given in detail in [4], and its application to the present case is further outlined in [3]. The lithium ions reside in solid particulates in each of the electrode regions.…”

Section: Model Formulationmentioning

confidence: 99%

“…The case developed here has its foundation in theory developed by Newman and Tiedemann [1], and subsequent numerical models [2,3].…”

Section: Introductionmentioning

confidence: 99%

Residential electrical power storage scenario simulations with a large-scale lithium ion battery

et al. 2009

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The advent of time-of-use (TOU) household electricity prices provides an opportunity for large lithium ion batteries to become a component of residential electrical power equipment for either storage or cogeneration. This project investigates household power use and cogeneration scenarios combined with lithium ion battery technology via simulation. The simulation treats transient battery charge and discharge based on electrochemical fundamentals. The analysis of both storage and cogeneration systems containing a batteries serves to demonstrate economic advantages of these types of power storage, as well as to identify size, materials, and performance criteria suitable for designing a lithium ion battery unit meeting real application demands.

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Comparison of Modeling Predictions with Experimental Data from Plastic Lithium Ion Cells

Cited by 1,365 publications

References 11 publications

Parameter estimation of an electrochemistry-based lithium-ion battery model

Parameter estimation of an electrochemistry-based lithium-ion battery model

High-Capacity Micrometer-Sized Li₂S Particles as Cathode Materials for Advanced Rechargeable Lithium-Ion Batteries

Residential electrical power storage scenario simulations with a large-scale lithium ion battery

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Comparison of Modeling Predictions with Experimental Data from Plastic Lithium Ion Cells

Cited by 1,365 publications

References 11 publications

Parameter estimation of an electrochemistry-based lithium-ion battery model

Parameter estimation of an electrochemistry-based lithium-ion battery model

High-Capacity Micrometer-Sized Li2S Particles as Cathode Materials for Advanced Rechargeable Lithium-Ion Batteries

Residential electrical power storage scenario simulations with a large-scale lithium ion battery

Contact Info

Product

Resources

About

High-Capacity Micrometer-Sized Li₂S Particles as Cathode Materials for Advanced Rechargeable Lithium-Ion Batteries