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首页> 外文期刊>The Journal of Chemical Physics >Rotational and spin viscosities of water: Application to nanofluidics
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Rotational and spin viscosities of water: Application to nanofluidics

机译：水的旋转和自旋粘度：在纳米流体中的应用

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In this paper we evaluate the rotational viscosity and the two spin viscosities for liquid water using equilibrium molecular dynamics. Water is modeled via the flexible SPC/Fw model where the Coulomb interactions are calculated via the Wolf method which enables the long simulation times required. We find that the rotational viscosity is independent of the temperature in the range from 284 to 319 K. The two spin viscosities, on the other hand, decrease with increasing temperature and are found to be two orders of magnitude larger than that estimated by Bonthuis [Phys. Rev. Lett. 103, 144503 (2009)] We apply the results from molecular dynamics simulations to the extended Navier-Stokes equations that include the coupling between intrinsic angular momentum and linear momentum. For a flow driven by an external field the coupling will reduce the flow rate significantly for nanoscale geometries. The coupling also enables conversion of rotational electrical energy into fluid linear momentum and we find that in order to obtain measurable flow rates the electrical field strength must be in the order of 0.1 MV m-1 and rotate with a frequency of more than 100 MHz.
机译：在本文中，我们使用平衡分子动力学来评估液态水的旋转粘度和两种自旋粘度。通过灵活的SPC / Fw模型对水进行建模，其中通过Wolf方法计算库仑相互作用，这使得所需的模拟时间更长。我们发现旋转粘度与温度在284至319 K范围内无关。另一方面，两种自旋粘度随温度的升高而降低，并且被发现比Bonthuis估计的旋转粘度大两个数量级[物理牧师103，144503（2009）]我们将分子动力学模拟的结果应用于扩展的Navier-Stokes方程，该方程包括固有角动量和线性动量之间的耦合。对于由外部场驱动的流，对于纳米级几何形状，耦合将大大降低流速。耦合还可以将旋转电能转换为流体线性动量，并且我们发现，为了获得可测量的流速，电场强度必须在0.1 MV m-1的数量级，并以大于100 MHz的频率旋转。

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