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首页> 外文期刊>RSC Advances >Unidirectional transport of water nanodroplets entrapped inside a nonparallel smooth surface: a molecular dynamics simulation study
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Unidirectional transport of water nanodroplets entrapped inside a nonparallel smooth surface: a molecular dynamics simulation study

机译：捕获在非平行光滑表面内的水纳米玻璃的单向传输：分子动力学模拟研究

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The unidirectional transport of liquid nanodroplets is an important topic of research in the field of drug delivery, labs on chips, micro/nanofluidics, and water collection. Inspired by nature a nonparallel surface (NPS) is modelled in this study for pumpless water transport applications. The dynamics of water transport is analyzed with the aid of Molecular Dynamics (MD) simulations. There were five different types of NPSs namely A1, A2, A3, A4, and A5 utilized in this study, with separation angles equal to 5 degrees, 7 degrees, 9 degrees, 11 degrees, and 13 degrees respectively. The water droplet was placed at the beginning of the open end of the NPS and it moved spontaneously towards the cusp of the surface in all cases except for the 13 degrees NPS. The size of the water droplet, too, was altered and four different sizes of water droplets (3000, 4000, 5000, and 6000 molecules) were utilized in this study. Furthermore, the surface energy parameter of the NPS was also changed and four different values, i.e. 7.5 eV, 17.5 eV, 27.56 eV, 37.5 eV were assigned to the surface in order to represent a surface with hydrophobic to hydrophilic characteristics. In addition the importance of water bridge formation for its spontaneous propulsion with the influence of surface energy and droplet size is also discussed in this study. Moreover, a unique design is modelled for the practical application of water harvesting and a large size water droplet is formed by combining two water droplets placed inside a NPS.
机译：液体纳米液体的单向传输是在药物递送领域，薯片，微/纳米流体和水收集的实验室研究的重要课题。受到自然的启发，非平行表面（NPS）在本研究中建模了对散热水运输应用的研究。借助分子动力学（MD）模拟分析了水运输的动态。在本研究中有五种不同类型的NPS，即A1，A2，A3，A4和A5，分离角度分别等于5度，7度，9度，11度和13度。将水滴放置在NPS开口的开头，除了13度NPS之外，它在所有情况下自发地朝向表面的尖端移动。还改变了水滴的尺寸，并在本研究中改变了四种不同尺寸的水滴（3000,4000,5000和6000分子）。此外，NPS的表面能参数也改变，并且四种不同的值，即7.5eV，17.5eV，27.56eV，37.5eV被分配给表面，以表示具有亲水性的疏水性的表面。此外，在本研究中还讨论了水桥形成与表面能和液滴尺寸影响的自发推进的重要性。此外，采用独特的设计，用于采用水收集的实际应用，并且通过将放置在NPS内的两个水滴形成，形成大尺寸的水滴。

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    《RSC Advances》 |2019年第72期|共9页
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  • 正文语种 eng
  • 中图分类 化学;
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