基于模拟退火算法的真实多孔电极中热-质传递的研究

doi:10.11949/0438-1157.20220135

摘要/Abstract

摘要：

电极中的离子-电子传递和传热显著影响着电化学储能性能。深入研究多孔电极中的热-质传递现象这一典型的介尺度问题，对高性能电化学储能器件的设计具有重要意义。采用一种基于改进的状态更新的随机重建方法和动态退火系数相结合的模拟退火算法，将图像分割后的二维SEM图重构为真实的三维多孔电极。通过重构多孔电极和PNP方程与傅里叶定律，建立真实多孔电极中的离子传递和电极导热模型。结果表明，当充电时间为0.1个平板充电弛豫时间时，离子主要吸附在多孔电极骨架相与体相的接触面上，且离子倾向于从截面边缘往中心迁移。由于实际的导热距离远小于多孔电极厚度，多孔电极中的热弛豫时间远小于平板的热弛豫时间。

关键词: 多孔电极, 热-质传递, 模拟退火算法, 离子传递, 电极导热

Abstract:

The ion-electron transfer and heat transfer in the electrode significantly affect the electrochemical energy storage performance. The study of heat - mass transfer in porous electrodes, as a typical mesoscale problem, is of great significance to the design of high-performance electrochemical energy storage devices. At present, the simplified model of porous electrode can only approximate the real pore size distribution to a certain extent, and it is difficult to represent the diversified surface morphology and the complex distribution of catalytic active sites, which limits the in-depth study of heat-mass transfer in porous electrode. Therefore, a simulated annealing algorithm based on improved state updating random reconstruction method and dynamic annealing coefficient was used to reconstruct the two-dimensional SEM image after image segmentation into a real three-dimensional porous electrode. Then, the ion transport and electrode heat conduction models in real porous electrodes were established by reconstructing the PNP equation and Fourier law. The results show that when the charging time is 0.1 plate charging relaxation time, the ions mainly adsorb on the contact surface between the skeleton phase of the porous electrode and bulk phase, and the ions tend to migrate from the edge of the cross section to the center. In addition, since the actual thermal conduction distance is much smaller than the thickness of the porous electrode, the thermal relaxation time in the porous electrode is much smaller than that of the flat plate.

Key words: porous electrode, heat-mass transfer, simulated annealing algorithm, ion transport, electrode heat conduction

中图分类号:

TQ 152

黄盼, 练成, 刘洪来. 基于模拟退火算法的真实多孔电极中热-质传递的研究[J]. 化工学报, 2022, 73(6): 2529-2542.

Pan HUANG, Cheng LIAN, Honglai LIU. Heat-mass transfer in real porous electrode based on simulated annealing algorithm[J]. CIESC Journal, 2022, 73(6): 2529-2542.

图/表 12

图1 储能和转换过程中的电极尺度问题及与其他尺度问题的联系

Fig.1 The electrode scale issues in energy storage and conversion processes and their relation to other scale issues

图2 基于模拟退火算法重构的真实多孔电极中的离子传递和电极导热

Fig.2 The ion transport and electrode heat conduction in real porous electrode based on simulated annealing algorithm

图3 多孔电极三维重构流程图

Fig.3 The flow chart of three-dimensional reconstruction of porous media

图4 模拟退火算法流程图

Fig.4 The flow chart of simulated annealing algorithm

图5 中心像素在不同结构中的DPN值

Fig.5 DPN values of center pixel in different structures

表1 模拟退火算法退出迭代的参数设置

Table 1 Parameter setting of simulated annealing algorithm to exit the iteration

E_th	ΔE_th	N_con	N_iter
1×10^-6	1×10^-8	500	1×10⁶

表2 通过模拟退火算法重构的多孔电极的结构参数

Table 2 Structural parameters of porous electrode reconstructed by simulated annealing algorithm

多孔电极尺寸/ (个立方体)	边长/ $μ m$	结构参数
多孔电极尺寸/ (个立方体)	边长/ $μ m$	孔隙率	比表面积/ $m - 1$	分形维数	曲折因子
$50 × 50 × 50$	0.41	0.545	1.493×10⁷	3.28	2.36
$100 × 100 × 100$	0.82	0.545	1.223×10⁷	3.19	2.01
$200 × 200 × 200$	1.64	0.545	1.306×10⁷	3.11	2.13

表2 通过模拟退火算法重构的多孔电极的结构参数

Table 2 Structural parameters of porous electrode reconstructed by simulated annealing algorithm

多孔电极尺寸/ (个立方体)	边长/ $μ m$	结构参数
多孔电极尺寸/ (个立方体)	边长/ $μ m$	孔隙率	比表面积/ $m - 1$	分形维数	曲折因子
$50 × 50 × 50$	0.41	0.545	1.493×10⁷	3.28	2.36
$100 × 100 × 100$	0.82	0.545	1.223×10⁷	3.19	2.01
$200 × 200 × 200$	1.64	0.545	1.306×10⁷	3.11	2.13

图6 真实多孔电极中的离子传递和电极导热模型

Fig.6 The model of ion transfer and electrode heat conduction in real porous electrodes

图7 重构结构的能量函数随迭代次数的变化

Fig.7 The energy function of the reconstructed structure varies with the number of iterations

图8 10-1τRC时不同位置的电势分布?/Vm

Fig.8 The potential distribution ?/Vm at different position at 10-1τRC

图9 10-1τRC时不同位置的浓度分布(c++c-)/(2c0)

Fig.9 The concentration distribution (c++c-)/(2c0) at different position at 10-1τRC

图10 不同时刻下的温度分布(T-T0)/ΔT0的等值面图

Fig.10 Theisosurface diagram of temperature distribution (T-T0)/ΔT0 at different time

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