Molecular dynamics simulation of continuous nanoflow transport through the uneven wettability channel
Molecular dynamics simulation of continuous nanoflow transport through the uneven wettability channel
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DOI：
10.1063/1.5006369
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发表时间：
2018-01
期刊：
影响因子：
1.6
通讯作者：
Kai Zhang;Fenghui Wang;Yongjun Lu
中科院分区：
文献类型：
--
作者：
Kai Zhang;Fenghui Wang;Yongjun Lu
有必要理解和预测连续纳米流的行为，特别是在具有不均匀润湿性的纳米通道内。由于受限于纳米通道中的流体的性质不同于宏观流体，因此分子水平的理解对于未来的应用至关重要。在这项工作中，进行了一系列的分子动力学模拟，以研究连续纳米流体的润湿性梯度的效果。在模拟中，施加不同的渗透压，使水通过不同的纳米通道传输。通过对模拟数据的分析，得到了水流流速、剪切粘度、毛细力、密度沿着高度方向的分布以及表观摩擦系数。结果表明，只有在适当的渗透压和通道高度下，润湿性不均匀才对承压水运移有显著影响。在适当的条件下，润湿性的不均匀性对涂层的性能有促进作用。
It is necessary to understand and predict the behavior of continuous nanoflow, especially inside the nanochannel with uneven wettability. Because the properties of fluid confined in the nanochannel are different from the macroscopic fluid, molecular level understanding is critical for future applications. In this work, a series of molecular dynamics simulations were executed to investigate the effect of the wettability gradient on the continuous nanofluid. In the simulations, different osmotic pressures were applied to make the water transport through different nanochannels. Simulation data was analyzed to obtain water flow rate, shear viscosity, capillary force, density distributions along the height directions of channel and apparent friction factor. Results show that the uneven wettability has a significant effect on the transportation of confined water only under the proper applied osmotic pressure and the height of channel. Under the appropriate conditions, the uneven wettability has a promotion on t...