Zhang Xinke, Liu Yuzhen, Su Jiaye
Langmuir. 2022 Mar 22;38(11):3530-3539. doi: 10.1021/acs.langmuir.1c03473. Epub 2022 Mar 8.
Understanding the electroosmotic flow through a nanochannel is essential to the design of novel nanofluidic devices, ranging from desalination to nanometer water pumps. Nonetheless, the competition between cation and anion in electric fields inevitably leads to a limited pumping of water, and thus weakening their competition could be a new avenue for the fundamental control of water transport. In this work, through a series of molecular dynamics simulations, we find a surprising phenomenon in which under the drive of a traditional longitudinal electric field, an additional lateral electric field can significantly weaken the competitive transport of a cation and anion through a carbon nanotube, which spontaneously leads to a massive increase in electroosmotic water flux. Specifically, with the increase in the lateral electric field, the anion flux exhibits an almost linear reduction, and the cation flux is stable and can even be enhanced. As a result, the net water flux along the cation direction increases significantly. The key to this unexpected phenomenon lies in the size and mobility difference between the cation and anion. The anion is larger and has greater mobility and is thus more susceptible to the lateral electric field, which ultimately leads to the reduction of its flux. For different ion types and CNT lengths, we can observe similar electropumping phenomenon, where the friction force induced by the lateral electric field becomes nontrivial for long CNTs. Our results provide a new route to tune the competitive transport of cations and anions and should be useful for the design of novel electroosmotic pumps.
理解纳米通道中的电渗流对于新型纳米流体装置的设计至关重要,这些装置涵盖从海水淡化到纳米水泵等领域。尽管如此,电场中阳离子和阴离子之间的竞争不可避免地导致水的泵送受限,因此减弱它们之间的竞争可能是从根本上控制水传输的一条新途径。在这项工作中,通过一系列分子动力学模拟,我们发现了一个惊人的现象:在传统纵向电场的驱动下,额外的横向电场可以显著减弱阳离子和阴离子通过碳纳米管的竞争性传输,这会自发地导致电渗水流通量大幅增加。具体而言,随着横向电场的增加,阴离子通量呈现几乎线性的下降,而阳离子通量稳定甚至可以增强。结果,沿阳离子方向的净水流通量显著增加。这一意外现象的关键在于阳离子和阴离子之间的尺寸和迁移率差异。阴离子更大且迁移率更高,因此更容易受到横向电场的影响,最终导致其通量降低。对于不同的离子类型和碳纳米管长度,我们都能观察到类似的电泵现象,其中横向电场引起的摩擦力对于长碳纳米管来说变得很显著。我们的结果为调节阳离子和阴离子的竞争性传输提供了一条新途径,应该对新型电渗泵的设计有用。