Bottom-up understanding of transport describes how molecular changes alter species concentrations and electrolyte voltage drops in operating batteries. Such an understanding is essential to predictively design electrolytes for desired transport behavior. We herein advocate building a structure–property–performance relationship as a systematic approach to accurate bottom-up understanding. To ensure generalization across salt concentrations as well as different electrolyte types and cell configurations, the property–performance relation must be described using Newman’s concentrated solution theory. It uses Stefan–Maxwell diffusivity, _ij, to describe the role of molecular motions at the continuum scale. The key challenge is to connect _ij to the structure. We discuss existing methods for making such a connection, their peculiarities, and future directions to advance our understanding of electrolyte transport.

中文翻译：

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自下而上地理解浓缩电池电解质的传输


对传输的自下而上的理解描述了分子变化如何改变运行电池中的物质浓度和电解质电压降。这种理解对于预测性地设计电解质以实现所需的传输行为至关重要。我们在此提倡建立结构-属性-性能关系，作为准确自下而上理解的系统方法。为了确保盐浓度以及不同电解质类型和电池配置的通用性，必须使用纽曼浓溶液理论来描述特性-性能关系。它使用斯特凡-麦克斯韦扩散率， _ij ，描述连续尺度上分子运动的作用。关键的挑战是连接_ij到结构。我们讨论了建立这种连接的现有方法、它们的特点以及未来的方向，以增进我们对电解质传输的理解。