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Deviations from the Normal Time Regime of Single-File Diffusion

机译:与单文件扩散的正常时间体制的偏差

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摘要

Deviations from the ideal single-file behavior in actual systems, such as zeolitic host-guest systems with a one-dimensional channel structure, may occur if (i) there is a possibility of mutual passages of the diffusants and (ii) the influence of the file boundary on the movement of the diffusants cannot be neglected. The conditions under which such deviations may become relevant are investigated both by analytical methods and molecular dynamics simulations. The consequences of these deviations for experimental studies of single-file diffusion are discussed.
机译:在以下情况下,可能会发生与实际系统(例如具有一维通道结构的沸石主客体系统)中理想的单文件行为的偏差:扩散剂运动的文件边界不可忽略。通过分析方法和分子动力学模拟研究了这种偏差可能变得相关的条件。讨论了这些偏差对单文件扩散实验研究的结果。

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