The MD model of the nano-channel. In total 2048 water molecules are placed between two solid atomistic walls each consisting of 648 silicon atoms in four layers. The distance between the centres of the two walls is ≈4.3 nm. Poiseuille flow is generated by a body force f bx in the x-direction.
Schematic illustration of the parameters of the used water models.
The density profile (top) and charge distribution profile (bottom) obtained for the nano-channel from the equilibrium MD simulation (, T init = 293 K, using the SPC/E water model).
A typical velocity profile from one of the simulations of water inside a nano-channel (using TIP4P/2005). An illustration of the fraction of the velocity profile used for the curve fit is given.
The values of the viscosity as a function of the temperature obtained from the curve fit of the velocity profile for the four different water models. The errors of the fits are also displayed. The lines in the figure are obtained from a fit of the type: μ = (T − T 0)−b , where the fit with experimental data from Bird et al. 43 is used for reference.
The parameters of water models for which the value of viscosity is determined. The meaning of the parameters is schematically illustrated in Figure 2.
The values of viscosity from the four water models as obtained from the fitted velocity profile and the errors in percent between the calculated and experimental values of the viscosity of water.
The parameters obtained from the fit of the type μ = (T − T 0)−b from the data points as shown in Figure 5.
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