Department of Mechanical and Aerospace Engineering, University of Virginia, Charlottesville, VA 22904.
Department of Civil and Environmental Engineering, Michigan State University, East Lansing, MI 48824.
Proc Natl Acad Sci U S A. 2020 Oct 13;117(41):25246-25253. doi: 10.1073/pnas.2009310117. Epub 2020 Sep 28.
The suspension of nanoporous particles in a nonwetting liquid provides a unique solution to the crux of superfluid, sensing, and energy conversion, yet is challenged by the incomplete outflow of intruded liquid out of nanopores for the system reusability. We report that a continuous and spontaneous liquid outflow from hydrophobic nanopores with high and stable efficiency can be achieved by regulating the confinement of solid-liquid interactions with functionalized nanopores or/and liquids. Full-scale molecular-dynamics simulations reveal that the grafted silyl chains on nanopore wall surfaces will promote the hydrophobic confinement of liquid molecules and facilitate the molecular outflow; by contrast, the introduction of ions in the liquid weakens the hydrophobic confinement and congests the molecular outflow. Both one-step and multistep well-designed quasistatic compression experiments on a series of nanopores/nonwetting liquid material systems have been performed, and the results confirm the outflow mechanism in remarkable agreement with simulations. This study offers a fundamental understanding of the outflow of confined liquid from hydrophobic nanopores, potentially useful for devising emerging nanoporous-liquid functional systems with reliable and robust reusability.
纳米多孔颗粒在不浸润液体中的悬浮提供了一个解决超流、传感和能量转换关键问题的独特方案,但由于系统的可重复使用性,侵入的液体无法完全从纳米孔中流出,这一方案受到了挑战。我们报告称,通过调节功能化纳米孔或/和液体中固液相互作用的限制,可以实现具有高且稳定效率的从疏水性纳米孔中连续且自发的液体流出。全尺度分子动力学模拟表明,纳米孔壁表面上接枝的硅烷基链将促进液体分子的疏水性限制,并促进分子流出;相比之下,液体中离子的引入会削弱疏水性限制并阻碍分子流出。我们对一系列纳米孔/不浸润液体材料体系进行了一步和多步精心设计的准静态压缩实验,实验结果与模拟结果非常吻合,证实了这种流出机制。这项研究为从疏水性纳米孔中流出受限液体的机制提供了基本的理解,这对于设计具有可靠和稳健可重复使用性的新兴纳米多孔液体功能系统可能是有用的。