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Dr. HONG KEUN KIM
Argonne National Laboratory

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0 Numerical Analysis
0 Mathematical model
0 Lithium ion battery
0 Battery modelling
0 battery simulation

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Journal article
Published: 15 October 2020 in Sustainability
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Large lithium-ion batteries (LIBs) demonstrate different performance and lifetime compared to small LIB cells, owing to the size effects generated by the electrical configuration and property imbalance. However, the calculation time for performing life predictions with three-dimensional (3D) cell models is undesirably long. In this paper, a lumped cell model with equivalent resistances (LER cell model) is proposed as a reduced order model of the 3D cell model, which enables accurate and fast life predictions of large LIBs. The developed LER cell model is validated via the comparisons with results of the 3D cell models by simulating a 20-Ah commercial pouch cell (NCM/graphite) and the experimental values. In addition, the LER cell models are applied to different cell types and sizes, such as a 20-Ah cylindrical cell and a 60-Ah pouch cell.

ACS Style

Hong-Keun Kim; Kyu-Jin Lee. Scale-Up of Physics-Based Models for Predicting Degradation of Large Lithium Ion Batteries. Sustainability 2020, 12, 8544 .

AMA Style

Hong-Keun Kim, Kyu-Jin Lee. Scale-Up of Physics-Based Models for Predicting Degradation of Large Lithium Ion Batteries. Sustainability. 2020; 12 (20):8544.

Chicago/Turabian Style

Hong-Keun Kim; Kyu-Jin Lee. 2020. "Scale-Up of Physics-Based Models for Predicting Degradation of Large Lithium Ion Batteries." Sustainability 12, no. 20: 8544.

Preprint
Published: 18 September 2020
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Large lithium-ion batteries (LIBs) in electric vehicles and energy storage systems demonstrate different performance and lifetime compared to small LIB cells, owing to the size effects generated by the electrical configuration and property imbalance. However, the calculation time for performing life predictions with three-dimensional (3D) cell models is undesirably long. In this paper, a lumped cell model with equivalent resistances (LER cell model) is proposed as a reduced order model of the 3D cell model, which enables accurate and fast life predictions of large LIBs. The developed LER cell model is validated via the comparisons with results of the 3D cell models by simulating a 20-Ah commercial pouch cell (NCM/graphite) and the experimental values. In addition, the LER cell models are applied to different cell types and sizes, such as a 20-Ah cylindrical cell and a 60-Ah pouch cell.

ACS Style

Hong-Keun Kim; Kyu-Jin Lee. Scale-up of Physics-based Models for Predicting Degradation of Large Lithium Ion Batteries. 2020, 1 .

AMA Style

Hong-Keun Kim, Kyu-Jin Lee. Scale-up of Physics-based Models for Predicting Degradation of Large Lithium Ion Batteries. . 2020; ():1.

Chicago/Turabian Style

Hong-Keun Kim; Kyu-Jin Lee. 2020. "Scale-up of Physics-based Models for Predicting Degradation of Large Lithium Ion Batteries." , no. : 1.

Paper
Published: 15 September 2020 in Energy & Environmental Science
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Direct measurements of concentration and velocity profiles in a polymeric lithium-ion battery electrolyte provide insights into the transference number.

ACS Style

Hans-Georg Steinrück; Christopher James Takacs; Hong-Keun Kim; David G. Mackanic; Benjamin Holladay; Chuntian Cao; Suresh Narayanan; Eric M. Dufresne; Yuriy Chushkin; Beatrice Ruta; Federico Zontone; Johannes Will; Oleg A Borodin; Sunil K. Sinha; Venkat Srinivasan; Michael F. Toney. Concentration and velocity profiles in a polymeric lithium-ion battery electrolyte. Energy & Environmental Science 2020, 13, 4312 -4321.

AMA Style

Hans-Georg Steinrück, Christopher James Takacs, Hong-Keun Kim, David G. Mackanic, Benjamin Holladay, Chuntian Cao, Suresh Narayanan, Eric M. Dufresne, Yuriy Chushkin, Beatrice Ruta, Federico Zontone, Johannes Will, Oleg A Borodin, Sunil K. Sinha, Venkat Srinivasan, Michael F. Toney. Concentration and velocity profiles in a polymeric lithium-ion battery electrolyte. Energy & Environmental Science. 2020; 13 (11):4312-4321.

Chicago/Turabian Style

Hans-Georg Steinrück; Christopher James Takacs; Hong-Keun Kim; David G. Mackanic; Benjamin Holladay; Chuntian Cao; Suresh Narayanan; Eric M. Dufresne; Yuriy Chushkin; Beatrice Ruta; Federico Zontone; Johannes Will; Oleg A Borodin; Sunil K. Sinha; Venkat Srinivasan; Michael F. Toney. 2020. "Concentration and velocity profiles in a polymeric lithium-ion battery electrolyte." Energy & Environmental Science 13, no. 11: 4312-4321.

Journal article
Published: 28 July 2020 in Journal of The Electrochemical Society
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New experimental techniques such as electrophoretic NMR (eNMR) are emerging as powerful methods for directly measuring ion velocities in electrolytes under applied electric fields. The aim of this theoretical study is to predict the spatial- and temporal-dependence of these velocities of ions as a function of the magnitude of the applied field and salt concentration. It has recently been shown that mixtures of poly(ethylene oxide)-based (PEO) and lithium bis(trifluoromethanesulfonyl) imide (LiTFSI) electrolytes exhibit negative cation transference numbers in a certain salt concentration range. In this range, the cation motion at early times is directed to the positive electrode at all locations in the cell; ion migration dominates in this regime. As time progresses, the cation velocity in finite zones near both the electrodes changes sign. These zones grow rapidly with time, reflecting the increasing importance of diffusion, and a point in time is reached beyond which the cation velocity in the entire cell is directed toward the negative electrode. Our work reveals the limited time window over which the results of eNMR can be used to determine the transference number. More importantly, it shows how to account for the effect of diffusional flux in such experiments.

ACS Style

Hong-Keun Kim; Nitash P. Balsara; Venkat Srinivasan. Continuum Description of the Role of Negative Transference Numbers on Ion Motion in Polymer Electrolytes. Journal of The Electrochemical Society 2020, 167, 110559 .

AMA Style

Hong-Keun Kim, Nitash P. Balsara, Venkat Srinivasan. Continuum Description of the Role of Negative Transference Numbers on Ion Motion in Polymer Electrolytes. Journal of The Electrochemical Society. 2020; 167 (11):110559.

Chicago/Turabian Style

Hong-Keun Kim; Nitash P. Balsara; Venkat Srinivasan. 2020. "Continuum Description of the Role of Negative Transference Numbers on Ion Motion in Polymer Electrolytes." Journal of The Electrochemical Society 167, no. 11: 110559.

Journal article
Published: 10 January 2020 in Journal of The Electrochemical Society
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There is growing interest in the development of Li-metal-based solid state batteries, driven by their promise in improving the energy density to satisfy electric vehicle requirements. In this contribution, we examine the status of SPE-based solid state batteries for electric vehicle applications using a continuum scale mathematical model. We examine LiFePO4 (LFP) cathode/lithium metal anode batteries containing three different electrolytes, namely (1) a liquid electrolyte, (2) the polystyrene-b-poly(ethylene oxide) (SEO) block copolymer electrolyte, and (3) a single-ion conducting (SIC) block copolymer electrolyte, with the liquid electrolyte serving as the baseline for the comparison. By using an optimization protocol, we assemble "virtual" batteries to identify the optimal design that maximizes energy density while allowing the power requirements of EVs to be satisfied. Results show the present status of different SPEs are still below what is considered acceptable and further improvements are needed to achieve electric vehicle targets. The optimization studies conducted here show that for low transference number electrolytes (~0.2) the conductivity target is 5 × 10-3 S/cm, while for a unity transference number electrolyte this target decreases to 4 × 10-4 S/cm. These targets provide guidance for polymer synthesis researchers to develop better polymers for use in EVs.

ACS Style

Hong-Keun Kim; Venkat Srinivasan. Status and Targets for Polymer-Based Solid-State Batteries for Electric Vehicle Applications. Journal of The Electrochemical Society 2020, 167, 130520 .

AMA Style

Hong-Keun Kim, Venkat Srinivasan. Status and Targets for Polymer-Based Solid-State Batteries for Electric Vehicle Applications. Journal of The Electrochemical Society. 2020; 167 (13):130520.

Chicago/Turabian Style

Hong-Keun Kim; Venkat Srinivasan. 2020. "Status and Targets for Polymer-Based Solid-State Batteries for Electric Vehicle Applications." Journal of The Electrochemical Society 167, no. 13: 130520.