The Molecular Simulation of Water Molecules Flow Mechanism in Nanoscale Pore
Abstract: Recently, the development and research of shale gas attract many researchers’ attention on the study of nanoscale in the field of porpous flow. This is due to the fact that the flow rule of shale gas in the gap and the size of shale pore are closely related. In the nanoscale, it is very necessary to use the model of water confined to the geometric tablet to study the dynamic mechanism of water. In this paper, we use the molecular dynamic simulation to research on the distribution of water molecule in the confining environment. We observe that the distribution of water molecule is changing with the varying H (the vertical distance between the two CNPs). Our study observed that the fluid dynamics behavior and classic microtubules in poiseuille flow have a significant difference. From system H = 1 nm - 2 nm, water density distribution has an obviously difference; from system H = 4 - 5 nm, the velocity and hydrogen bonds distribution has a considerable increase. The changing ordering of water molecule is the essential reason to it, and this change is non-linear. So we can say that the length of H plays a key role to the nanofluid.
文章引用: 黄婉莹 , 陆杭军 , 许友生 (2015) 纳米级孔隙中水分子流动机制的分子动力学模拟研究。 渗流力学进展， 5， 9-15. doi: 10.12677/APF.2015.52002
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