报告题目 (Title)：Energetic Variational Approach for Prediction of Thermal Electrokinetics in Charging and Discharging Processes of Electrical Double Layer Capacitors （基于能量变分方法对电双层电容器充放电过程中的热动力学预测）
报告人 (Speaker)： 周圣高 教授（上海交通大学）
报告时间 (Time)：2022年9月28日(周三) 8:30
This work proposes a new variational, thermodynamically consistent model to predict thermal electrokinetics in electric double layer capacitors (EDLCs) by using an energetic variational approach. The least action principle and maximum dissipation principle from the non-equilibrium thermodynamics are employed to develop modified Nernst-Planck equations for non-isothermal ion transport with temperature inhomogeneity. Laws of thermodynamics are employed to derive a temperature evolution equation with heat sources due to thermal pressure and electrostatic interactions. Numerical simulations successfully predict temperature oscillation in the charging-discharging processes of EDLCs, indicating that the developed model is able to capture reversible and irreversible heat generations. The impact of ionic sizes and scan rate of surface potential on ion transport, heat generation, and charge current is systematically assessed in cyclic voltammetry simulations. It is found that the thermal electrokinetics in EDLCs cannot follow the surface potential with fast scan rates, showing delayed dynamics with hysteresis diagrams. Our work thus provides a useful tool for physics-based prediction of thermal electrokinetics in EDLCs. This is a joint work with Ji Xiang, Pei Liu, and Chun Liu.