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首页> 外文期刊>The Journal of Chemical Physics >A molecular theory for predicting the thermodynamic efficiency of electrokinetic energy conversion in slit nanochannels
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A molecular theory for predicting the thermodynamic efficiency of electrokinetic energy conversion in slit nanochannels

机译：用于预测狭缝纳米电动能量转换热力学效率的分子理论

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摘要

The classical density functional theory is incorporated with the Stokes equation to examine the thermodynamic efficiency of pressure-driven electrokinetic energy conversion in slit nanochannels. Different from previous mean-field predictions, but in good agreement with recent experiments, the molecular theory indicates that the thermodynamic efficiency may not be linearly correlated with the channel size or the electrolyte concentration. For a given electrolyte, an optimal slit nanochannel size and ion concentration can be identified to maximize both the electrical current and the thermodynamic efficiency. The optimal conditions are sensitive to a large number of parameters including ion diameters, valences, electrolyte concentration, channel size, and the valence-and size-asymmetry of oppositely charged ionic species. The theoretical results offer fresh insights into pressure-driven current generation processes and are helpful guidelines for the design of apparatus for the electrokinetic energy conversion. Published by AIP Publishing.
机译：古典密度泛函理论与Stokes方程结合在一起，以检查狭缝纳米中的压力驱动电动能量转换的热力学效率。与以前的平均场预测不同，但与最近的实验良好的一致性，分子理论表明热力学效率可能与通道尺寸或电解质浓度无线性相关。对于给定电解质，可以识别出最佳的狭缝纳米槽尺寸和离子浓度以最大化电流和热力学效率。最佳条件对大量参数敏感，包括离子直径，价值，电解质浓度，通道尺寸和相反带电离子物质的价值和尺寸 - 不对称。理论结果为压力驱动的电流发电过程提供了新的洞察力，并且是有用的电动能量转换设备设计的指导方针。通过AIP发布发布。

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