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中国物理学会期刊

黑磷纳米通道内压力驱动流体流动特性

CSTR: 32037.14.aps.68.20190531

Pressure-driven fluid flow characteristics in black phosphorus nanochannels

CSTR: 32037.14.aps.68.20190531
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  • 运用分子动力学方法探索了水-黑磷流-固界面各向异性、水流驱动力、黑磷通道宽度和黑磷层数等对黑磷通道内Poiseuille水流流动特性的影响规律. 研究结果表明: 随着驱动力的增加, 边界滑移速度随之增加; 各向异性也会对压力驱动作用下纳米通道内的水分子的流动特性产生影响, 具体表现为边界滑移速度会随着手性角度的增加而减小, 而水分子黏度系数却不受各向异性的影响. 发现黑磷表面天然的褶皱结构所产生的粗糙势能表面, 是导致流固界面各向异性特性的本质原因. 在加速度值保持不变的情况下, 研究纳米通道宽度和黑磷层数对水分子流动特性的影响, 发现随着纳米通道宽度的增加, 水分子滑移速度随之减小; 双层模型中水分子的速度分布与单层模型差异微小, 而随着层数的增加, 黑磷-水流固交互界面能随之增加, 各向异性规律依然保持不变. 研究结果将为水-黑磷流体器件设计与制备提供理论基础.

     

    With the rapid development of low-dimensional materials, the opportunity that promotes the development of micro/nano fluid devices, a new low-dimensional material black phosphorus (BP) has attracted wide attention due to its excellent properties, and has been applied to many areas. In this paper, the influences of driving force, water-BP anisotropy, channels’ width and the number of black phosphorus layers on the flow characteristics of water molecules in the nanochannels are studied by molecular dynamics based on the Poiseuille flow model. The results show that the boundary slip velocity increases with the driving force increasing. The anisotropy will also affect the flow characteristics of water molecules in the nanochannel under the pressure driving the Poiseuille flow. Specifically, the boundary slip velocity decreases with the chirality angle increasing, and the viscosity coefficient of water molecules is still not affected by the anisotropy. The natural rippled structure of the BP surface leads to the coarse potential surface, and further results in the anisotropic boundary slip and interfacial friction between water and BP sheets. With the driving acceleration kept constant, the influences of the width of nanochannels and the number of black phosphorus layers on the boundary slip velocity and viscosity coefficient of water molecules are investigated. The results indicate that the slip velocity of water molecules in the nanochannels decreases with the width of the nanochannels increasing. The velocity profile of water molecules in the bilayer model is slightly different from that in the monolayer model. With the number of BP layers increasing, the energy of BP-water solid-liquid interface increases while the anisotropic interfacial property remains unchanged. The results will provide a theoretical basis for the study of the characteristics of the fluid flowing in the black phosphorus nanochannels and the design of micro/nano fluid devices based on black phosphorus materials.

     

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