Molecular Friction-Induced Electroosmotic Phenomena in Thin Neutral Nanotubes.
Molecular Friction-Induced Electroosmotic Phenomena in Thin Neutral Nanotubes.
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DOI：
10.1021/jz500761s
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发表时间：
2014-06
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影响因子：
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通讯作者：
L. Vuković;E. Vokac;P. Král
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文献类型：
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作者：
L. Vuković;E. Vokac;P. Král
通过经典分子动力学模拟，揭示了中性碳（CNT）和氮化硼（BNT）纳米管中充满水合单价原子离子离子溶液的电渗透流动。我们观察到，在电场作用下，单离子填充的（12,12）纳米管中，净水速度以Na(+) < K(+) < Cl（-）的顺序增大，表明不同的离子在纳米管中对水的拖拽能力不同。然而，这种效应在更宽的纳米管中逐渐消失。在电场中含有中性离子溶液的（12,12）bnt中，我们观察到(Na（+), Cl(-)）的净水速度沿Na（+）方向，(K（+), Cl(-)）的净水速度沿Cl（-）方向。我们假设电渗透流动是由具有不同水化壳的离子与纳米管壁之间的摩擦强度不同引起的。
We reveal by classical molecular dynamics simulations electroosmotic flows in thin neutral carbon (CNT) and boron nitride (BNT) nanotubes filled with ionic solutions of hydrated monovalent atomic ions. We observe that in (12,12) BNTs filled with single ions in an electric field, the net water velocity increases in the order of Na(+) < K(+) < Cl(-), showing that different ions have different power to drag water in thin nanotubes. However, the effect gradually disappears in wider nanotubes. In (12,12) BNTs containing neutral ionic solutions in electric fields, we observe net water velocities going in the direction of Na(+) for (Na(+), Cl(-)) and in the direction of Cl(-) for (K(+), Cl(-)). We hypothesize that the electroosmotic flows are caused by different strengths of friction between ions with different hydration shells and the nanotube walls.