重新思考资产负债表：基于泊松-能斯特定律的方法用于建模电化学电池内的浓度和通量分布
Rethinking Balance Sheets: A Poisson-Nernst-Planck Based Approach for Modeling Concentration and Flux Profiles Inside an Electrochemical Cell
AI总结：
本文提出基于泊松-能斯特定律的方法，用于更准确地建模电化学电池内的离子传输，以替代传统的资产负债表方法。
摘要：
电化学电池是用于产生和存储化学反应所产生的电能的基本单元。这些系统的离子传输分析构成了理解日益广泛存在于社会能源基础设施中的更复杂电化学系统的基础。从教学角度来看，BFW所引入的“资产负债表”提供了分析电化学电池中离子传输的一种初步方法。然而，资产负债表方法缺乏从底层方程中得出的第一性原理依据，这些方程描述了电化学电池中的传输过程。在本工作中，我们比较了通过泊松-能斯特定律方程描述电化学电池中离子传输的第一性原理方法，与资产负债表方法。通过重新处理BFW中呈现的例子，我们说明资产负债表方法仅在有限的场景下有效。此外，我们还展示PNP方程为分析电化学系统中的离子传输提供了一条更物理化的途径。我们希望这里概述的方法能够被电化学工程研究人员和教师所采纳。
英文摘要：
Electrochemical cells serve as a building block for producing and storing electrical energy from chemical reactions. The analysis of ion transport in these systems forms the foundation for understanding more complex electrochemical systems that are becoming increasingly present in the broader societal energy infrastructure. From a pedagogical perspective, the ``balance sheets" introduced in Chapter 4 of Electrochemical Methods: Fundamentals and Applications by Alan J. Bard, Larry R. Faulkner and Henry S. White (hereafter referred to as BFW) provides a first-pass approach to analyze ion transport in electrochemical cells. However, the balance sheet approach lacks first-principles justifications from the underlying equations that describe the transport processes in electrochemical cells. In this work, we compare a first-principles approach via the Poisson-Nernst-Planck equations to describe ion transport in electrochemical cells to that of the balance sheet approach. By re-working the examples presented in BFW, we illustrate that the balance sheet approach is only valid in limited scenarios. Furthermore, we show that the PNP equations provide a more physical route to analyze ion transport in electrochemical systems. We hope the approach outlined here will be adopted by electrochemical engineering researchers and instructors.
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