Effective Ion Diffusion in Charged Nanoporous Materials
Effective Ion Diffusion in Charged Nanoporous Materials
复制标题
带电纳米多孔材料中的有效离子扩散
DOI：
10.1149/2.0491704jes
复制
发表时间：
2017
影响因子：
3.9
通讯作者：
D. Tartakovsky
中科院分区：
文献类型：
--
作者：
Xuan Zhang;D. Tartakovsky
离子在多孔介质中传输的多尺度模型将微观材料属性(例如，孔尺寸分布和孔连通性)与宏观材料属性(例如，孔隙率、有效扩散系数和有效电导率)联系起来。我们推导了带电纳米孔材料中离子输运的宏观模型，以及相应的有效扩散系数、电导率和迁移数，该模型清楚地考虑了双电层(EDL)的动态变化和纳米孔中EDL可能的重叠。组成该模型的一般方程简化为双电层电容器(EDLC)模型，用于解释EDLC对充电的电压响应的测量结果。虽然原始的表示依赖于经验系数(例如，Bruggeman关系式)，但我们的有效系数是从第一原理导出的，并且随一系列电化学条件(例如，电解液中的初始离子浓度)而变化。由此得到的EDLC电压响应的模型预测值与实验数据吻合得更好。©2017电化学会。[DOI：10.1149/2.0491704 jes]版权所有。
Multiscale models of ion transport in porous media relate microscopic material properties (e.g., pore size distribution and pore connectivity) to their macroscopic counterparts (e.g., porosity, effective diffusion coefficient and effective electrical conductivity). We derive a macroscopic model of ion transport in electrically charged nanoporous materials, and the corresponding effective diffusion coefficient, electric conductivity and transference numbers, that explicitly account for dynamic changes in electrical double layer (EDL) and possible overlap of EDLs in nanopores. The general equations comprising this model reduce to a model of an electrical double layer capacitor (EDLC) used to interpret measurements of the EDLC voltage response to charging. While the original representation relies on empirical coefficients (e.g., Bruggeman’s relation), our effective coefficients are derived from the first principles and vary with a range of electrochemical conditions (e.g., initial concentration of ions in the electrolyte). The resulting model predictions of the EDLC voltage response match the experimental data better than the original model does. © 2017 The Electrochemical Society. [DOI: 10.1149/2.0491704jes] All rights reserved.
影响因子：
4.7
作者：
Boso, Francesca;Battiato, Ilenia
通讯作者：
Battiato, Ilenia