论文标题
浓缩电解质中的局部体积保护是管理电场中的电荷运输
Local volume conservation in concentrated electrolytes is governing charge transport in electric fields
论文作者
论文摘要
而浓缩电解质中的离子传输过程，例如基于离子液体（IL）是一项激烈研究的主题，保护法律和参考框架的作用仍然是一个争论的问题。就业电泳NMR，我们表明，动量保护是分子动力学（MD）模拟的典型先决条件，不是管理离子传输的。涉及与不同离子物种的阻止摩尔摩尔体积的密度测量，我们建议对局部摩尔物种体积的保存是离子传输的控制约束。实验量化的净体积通量被发现为零，这意味着在纯IL和基于IL的电解质中测试了非零的局部动量通量，以用于多种浓度和化学组成。该约束与收入性的性能一致，但与势头保护的局部应用不一致。约束会影响转移数量的计算以及MD结果与实验结果的比较。
While ion transport processes in concentrated electrolytes, e.g. based on ionic liquids (IL), are a subject of intense research, the role of conservation laws and reference frames is still a matter of debate. Employ-ing electrophoretic NMR, we show that momentum conservation, a typical prerequisite in molecular dynamics (MD) simulations, is not governing ion transport. Involving density measurements to deter-mine molar volumes of distinct ion species, we propose that conservation of local molar species volumes is the governing constraint for ion transport. The experimentally quantified net volume flux is found as zero, implying a non-zero local momentum flux, as tested in pure ILs and IL-based electrolytes for a broad variety of concentrations and chemical compositions. This constraint is consistent with incom-pressibility, but not with a local application of momentum conservation. The constraint affects the calcu-lation of transference numbers as well as comparisons of MD results to experimental findings.
