A Method for Estimating Transport Properties of Concentrated Electrolytes from Self-Diffusion Data

被引:18
|
作者
Kim, Sun Ung [1 ,2 ]
Srinivasan, Venkat [1 ]
机构
[1] Lawrence Berkeley Natl Lab, Joint Ctr Energy Storage Res, Berkeley, CA 94720 USA
[2] Robert Bosch LLC, Res & Technol Ctr, Palo Alto, CA 94304 USA
关键词
MAXWELL-STEFAN DIFFUSION; MOLECULAR-DYNAMICS SIMULATIONS; MULTICOMPONENT DIFFUSION; PROPYLENE CARBONATE; COEFFICIENTS; BATTERY; POLARIZATION; DEPENDENCE; MIXTURES; ALKANES;
D O I
10.1149/2.0541614jes
中图分类号
O646 [电化学、电解、磁化学];
学科分类号
081704 ;
摘要
A theoretical method is introduced that calculates the electrolyte-transport properties using Onsager-Stefan-Maxwell (OSM) theory (concentrated-solution theory) and the generalized-Darken relation. OSM theory is used to relate binary diffusivities to the transport properties of the electrolyte, including transference number, ionic conductivity, and Fickian diffusivity. The generalized-Darken relation is proposed to calculate the binary diffusivities of multicomponent systems from self-diffusivities. Finally, an example is demonstrated to show the details of how this method can be used to estimate transport properties. The calculated properties were reasonably close to the previously reported experimental values. (C) The Author(s) 2016. Published by ECS. This is an open access article distributed under the terms of the Creative Commons Attribution 4.0 License (CC BY, http://creativecommons.org/licenses/by/4.0/), which permits unrestricted reuse of the work in any medium, provided the original work is properly cited. All rights reserved.
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页码:A2977 / A2980
页数:4
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