通过碳纳米管的疏水通道传导水
G Hummer1, J C Rasaiah, J P Noworyta
1Laboratory of Chemical Physics, National Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health, Bethesda, Maryland 20892-0520, USA. hummer@helix.nih.gov
Nature
|November 9, 2001
概括
水分子自发地在碳纳米管内形成有序链,呈现脉冲式的流动. 纳米管极性的变化大大改变了水的填充,这表明可调节的分子通道用于水和质子运输.
科学领域:
- 在纳米尺度科学科学.
- 物理化学 物理化学
- 材料科学 是一种材料科学.
背景情况:
- 纳米级的限制可以改变材料的特性,诱导在散装系统中缺少的相位过渡.
- 水分子表现出强烈的键,导致与非极地表面相互作用时,导致纳米尺度上的干燥过渡等现象.
研究的目的:
- 为了研究水的行为被限制在非极性碳纳米管.
- 探索水链形成的动态和在封闭状态下的运输.
- 了解表面相互作用对水孔水化的影响.
主要方法:
- 用分子动力学模拟来模拟碳纳米管中水的行为.
- 模拟分析了自发填充和通过纳米管的水分子传输.
- 研究了改变纳米管壁对水的吸引力的效果.
主要成果:
- 观察到一维有序的水链自发地连续地填充一个非极性碳纳米管.
- 水通过纳米管的脉冲式传输是由于由键驱动的协同运动而发生的.
- 在纳秒时间尺度上,管水吸引力的轻微下降引起了空隙和充满孔隙状态之间的急剧,两种状态的过渡.
结论:
- 碳纳米管可以作为水和质子的独特分子通道,因为它们的刚性,非极性结构.
- 这些纳米管通道的占用率和导电率可以通过改变局部极性和溶剂条件来调整.
- 这些发现表明分子运输和分离技术的潜在应用.
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