碳塗佈於矽粒子負極材料之鋰離子電池巨觀與微觀數學模擬

The Macroscopic and Microscopic Simulation of the Carbon-Coated Si Anode Lithium-ion Batteries

徐祥耀(Hsiang-Yao Hsu)

指導教授 ： 顏溪成

國立臺灣大學/工學院/化學工程學研究所/碩士(2013年)

https://doi.org/10.6342/NTU.2013.02609

摘要

無資料

關鍵字

鋰離子電池 ； 數學模擬 ； 多孔性電極理論 ； 濃溶液理論 ； 空位效應 ； 容量衰減 ； 固態電解質介面

並列摘要

Lithium-ion batteries have the characteristics of high energy densities, high operate voltage, large output power, and high cycle life. In addition, the low self-discharge rates and the long storage life, making lithium-ion batteries well suited for 3C applications and stationary applications. The mathematical modeling of lithium-ion battery has been developed in this study, based on electrochemistry, combined with thermodynamics, transport phenomena, ohm’s law, and electrochemical kinetics, the model systems was simulated by computer-aided software engineering.
The one-dimensional (flow) model was solved by COMSOL 4.3a software, and the Butler–Volmer equation was solved by MATLAB. The results were compared to the P2D model in COMSOL and the experiments which were performed on CR2032 Li-ion cell with various negative electrode materials (KS-6 graphite, Silicon, C-coated Si, and KS-6/Si). Two different approaches have employed to model the insertion of lithium ions into an negative electrode particle: the Fick's second law and the nonlinear diffusion model considering the vacancy effect. Then, the model system was then scaled up to a cylindrical 18650 lithium cobalt oxide cell. By changing the manufacturing parameters, various effects on the batteries performance would be investigated. Using small particles, increasing the diffusion coefficient of lithium in solid state, and less electrode porosity could increase the discharge capacity. The model involving SEI formation has been developed to simulate the capacity fade of 18650 Li-ion batteries in first few cycles. The largest capacity losses due to solid electrolyte interphase (SEI) growth have been found in the first cycle, and were steady in the next several cycles.

並列關鍵字

Li-ion batteries ； Simulations ； Porous electrode theory ； Concentrated solution theory ； Vacancy effect ； Capacity fade ； Solid electrolyte interphase

參考文獻

7. 林群耀, 鋰電池巨觀與微觀雙尺度數學模擬 =:The macroscopic and microscopic modeling of lithium-ion batteries ; coupled porous electrode/intercalation model. 2010.

126. 吳光耀, 鋰離子電池之極限放電速率的模擬研究 =:Mathematical modeling of limiting discharge rate in lithium-ion battery. 2010.

155. Chang, Y., Kinetic and Interfacial Characterization of Lithium Electrodes in Organic Electrolyte Solutions. 2004.

158. 張永蔚, 碳矽複合物應用於鋰離子電池陽極材料之研究 =:Study of C/Si composites as anode materials of lithium-ion batteries. 1921.

1. Doyle, M., T.F. Fuller, and J. Newman, Modeling of Galvanostatic Charge and Discharge of the Lithium Polymer Insertion Cell. Journal of the Electrochemical Society, 1993. 140(6): p. 1526-1533.