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建立一个2侧带有缓冲池的bulk-nanochannel-bulk模型,采用非平衡态的分子动力学模拟方法研究热运动的硅原子对受限于纳通道中氯化钠溶液黏度的影响.该模拟在不同的通道上板移动速度、通道高度和通道壁面电荷密度的情况下进行.模拟结果表明:随着通道壁面电荷密度的增加、通道高度和剪切率的减小,热运动的硅原子对受限于纳米通道中流体的剪切黏度有着不可忽视的影响,当通道高度小于0.8nm,剪切率小于1.0×1011s-1时,热运动的硅原子导致了通道中氯化钠溶液的黏度减小,并且剪切率越小,这一现象越明显.这是由于热运动的硅原子减弱了反离子(Na+)和带电的通道壁面之间的相互作用引起的.
A bulk-nanochannel-bulk model with two buffer pools was established, and the effect of thermally-moving silicon atoms on the viscosity of sodium chloride solution confined in nanochannels was investigated by non-equilibrium molecular dynamics simulations Different channels on the plate velocity, channel height and the channel wall charge density case.The simulation results show that: with the channel wall surface charge density increases, the channel height and shear rate decreases, the thermal movement of silicon atoms on the subject Limited to the shear viscosity of the fluid in the nanochannel, there is an undeniable effect. When the channel height is less than 0.8 nm and the shear rate is less than 1.0 × 10 11 s -1, the thermally-moving silicon atoms cause the viscosity of the sodium chloride solution in the channel to decrease This is attributed to the fact that thermally moving silicon atoms weaken the interaction between counterions (Na +) and charged channel walls.