多孔电极中质量和电荷输运的升级:纽曼模型的正式推导

IF 5.6 3区 材料科学 Q1 ELECTROCHEMISTRY
Raquel Méndez-Vásquez , Francisco J. Valdés-Parada , Didier Lasseux
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引用次数: 0

摘要

几十年来,利用多种不同的方法对多孔电极中的物质质量和电荷输运进行建模一直是研究的热点。一方面,有专门用于具体经验用途的假设模型。另一方面,有一些模型是使用稳健的升级技术推导出来的。纽曼的工作小组得出的假设模型是目前在多孔电极中进行模拟时的标准起点。使用体积平均或均质化等技术导出的升级模型有一些共同点,例如共享类似的闭合问题,尽管它们并不总是导致相同的最终宏观方程。由此产生的各种各样的模型并没有为特定应用程序提供一个明确的选择模型的途径。这项工作的目的是通过提供使用体积平均方法的宏观模型的详细形式推导来调和升级技术和纽曼模型的使用,并显示它如何与纽曼的启发式模型相吻合。在整个推导过程中,还指出了与其他先前升级努力的联系和相似之处。目前的贡献有助于确定这个众所周知的模型的改进点,以提高其在未来工作中的预测能力。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Upscaling mass and electric charge transport in porous electrodes: A formal derivation of Newman’s model
Modeling species mass and electric charge transport in porous electrodes has been a subject of intense research over several decades using many different approaches. On the one hand, there are postulated models dedicated to specific empirical use. On the other hand, there are models derived using robust upscaling techniques. The postulated model derived by Newman’s work group is nowadays the standard starting point when performing simulations in porous electrodes. Derived upscaled models using techniques such as volume averaging or homogenization have some points in common, such as sharing similar closure problems, although they do not always lead to the same final macroscopic equations. The resulting variety of models does not provide a clear path to make a well-founded model choice for a particular application. The purpose of this work is to conciliate the use of upscaling techniques and Newman’s model by providing a detailed formal derivation of a macroscopic model using the volume averaging method and show how it coincides with Newman’s heuristic model. Connections and similarities with other previous upscaling efforts are also pointed out throughout the derivations. The present contribution helps to identify points of improvement of this well-known model to enhance its predictive capabilities in future works.
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来源期刊
Electrochimica Acta
Electrochimica Acta 工程技术-电化学
CiteScore
11.30
自引率
6.10%
发文量
1634
审稿时长
41 days
期刊介绍: Electrochimica Acta is an international journal. It is intended for the publication of both original work and reviews in the field of electrochemistry. Electrochemistry should be interpreted to mean any of the research fields covered by the Divisions of the International Society of Electrochemistry listed below, as well as emerging scientific domains covered by ISE New Topics Committee.
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