Analytical modeling and simulation of porous electrodes: Li-ion distribution and diffusion-induced stress  

作　　者：Liang Ji Zhansheng Guo 

机构地区：[1]Shanghai Institute of Applied Mathematics and Mechanics,Shanghai University [2]Shanghai Key Laboratory of Mechanics in Energy Engineering, Shanghai University

出　　处：《Acta Mechanica Sinica》2018年第1期187-198,共12页力学学报（英文版）

基　　金：financial support by the National Natural Science Foundation of China (Grants 11472165, 11332005)

摘　　要：A new model of porous electrodes based on the Gibbs free energy is developed, in which lithium-ion(Liion) diffusion, diffusion-induced stress(DIS), Butler–Volmer(BV) reaction kinetics, and size polydispersity of electrode particles are considered. The influence of BV reaction kinetics and concentration-dependent exchange current density(ECD) on concentration profile and DIS evolution are numerically investigated. BV reaction kinetics leads to a decrease in Li-ion concentration and DIS. In addition, concentrationdependent ECD results in a decrease in Li-ion concentration and an increase in DIS. Size polydispersity of electrode particles significantly affects the concentration profile and DIS.Optimal macroscopic state of charge(SOC) should consider the influence of the microscopic SOC values and mass fractions of differently sized particles.A new model of porous electrodes based on the Gibbs free energy is developed, in which lithium-ion(Liion) diffusion, diffusion-induced stress(DIS), Butler–Volmer(BV) reaction kinetics, and size polydispersity of electrode particles are considered. The influence of BV reaction kinetics and concentration-dependent exchange current density(ECD) on concentration profile and DIS evolution are numerically investigated. BV reaction kinetics leads to a decrease in Li-ion concentration and DIS. In addition, concentrationdependent ECD results in a decrease in Li-ion concentration and an increase in DIS. Size polydispersity of electrode particles significantly affects the concentration profile and DIS.Optimal macroscopic state of charge(SOC) should consider the influence of the microscopic SOC values and mass fractions of differently sized particles.

关 键 词：New model of porous electrode Butler–Volmer reaction kinetics Size polydispersity Exchange current density Li-ion concentration distribution Diffusioninduced stress 

分 类 号：O3[理学—力学]