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首页> 外文期刊>The Journal of Chemical Physics >Dynamics of water confined in single- and double-wall carbon nanotubes
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Dynamics of water confined in single- and double-wall carbon nanotubes

机译:局限在单壁和双壁碳纳米管中的水动力学

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Using high-resolution quasielastic neutron scattering, we investigated the temperature dependence of single-particle dynamics of water confined in single- and double-wall carbon nanotubes with the inner diameters of 14 +/- 1 and 16 +/- 3 angstrom, respectively. The temperature dependence of the alpha relaxation time for water in the 14 angstrom nanotubes measured on cooling down from 260 to 190 K exhibits a crossover at 218 K from a Vogel-Fulcher-Tammann law behavior to an Arrhenius law behavior, indicating a fragile-to-strong dynamic transition in the confined water. This transition may be associated with a structural transition from a high-temperature, low-density (< 1.02 g/cm(3)) liquid to a low-temperature, high-density (> 1.14 g/cm(3)) liquid found in molecular dynamics simulation at about 200 K. However, no such dynamic transition in the investigated temperature range of 240-195 K was detected for water in the 16 angstrom nanotubes. In the latter case, the dynamics of water simply follows a Vogel-Fulcher-Tammann law. This suggests that the fragile-to-strong crossover for water in the 16 angstrom nanotubes may be shifted to a lower temperature. (c) 2206 American Institute of Physics.
机译:使用高分辨率的准弹性中子散射,我们研究了内径分别为14 +/- 1和16 +/- 3埃的单壁和双壁碳纳米管中水的单颗粒动力学的温度依赖性。从260降到190 K冷却后测得的14埃纳米管中水的α弛豫时间的温度依赖性在218 K时从伏格尔-富尔彻-塔曼法则行为转换为阿伦尼乌斯定律行为,表明其易碎在密闭水中有很强的动态过渡。这种转变可能与从高温低密度(<1.02 g / cm(3))液体到发现的低温高密度(> 1.14 g / cm(3))液体的结构转变有关在大约200 K的分子动力学模拟中进行了模拟。但是,在研究的240-195 K的温度范围内,没有检测到16埃纳米管中的水发生这种动态转变。在后一种情况下,水的动力学仅遵循Vogel-Fulcher-Tammann定律。这表明,在16埃纳米管中,水的脆弱性到强渗透性可能会转移到较低的温度。 (c)2206美国物理研究所。

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