Spontaneous outflow efficiency of confined liquid in hydrophobic nanopores
Spontaneous outflow efficiency of confined liquid in hydrophobic nanopores
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DOI：
10.1073/pnas.2009310117
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发表时间：
2020-10-13
影响因子：
11.1
通讯作者：
Xu, Baoxing
中科院分区：
文献类型：
--
作者：
Gao, Yuan;Li, Mingzhe;Xu, Baoxing
纳米多孔颗粒在非润湿液体中的悬浮液为超流体、传感和能量转换的关键提供了独特的解决方案，但由于侵入的液体不完全流出纳米孔，系统的可重复使用性受到挑战。我们报告说，一个连续的和自发的液体流出疏水纳米孔具有高和稳定的效率，可以通过调节限制的固体？与官能化纳米孔或/和液体的液体相互作用。全尺度分子动力学模拟表明，纳米孔壁表面接枝的硅基链会促进液体分子的疏水约束，促进分子外流;相反，离子的引入会削弱疏水约束，使分子外流发生拥塞.一步和多步精心设计的准静态压缩实验的一系列纳米孔/非润湿液体材料系统已进行，结果证实了与模拟显着一致的流出机制。这项研究提供了一个基本的了解，从疏水性纳米孔的封闭液体的流出，可能有用的设计新兴的纳米多孔液体功能系统具有可靠和强大的可重复使用性。
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.