Dynamics of a self-avoiding polymer chain in slit, tube, and cube confinements.
Dynamics of a self-avoiding polymer chain in slit, tube, and cube confinements.
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DOI：
10.1103/physreve.78.061802
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发表时间：
2008-12
期刊：
影响因子：
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通讯作者：
Ting Cui;Jiandong Ding;Jeff Z. Y. Chen
中科院分区：
文献类型：
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作者：
Ting Cui;Jiandong Ding;Jeff Z. Y. Chen
采用蒙特卡罗模拟方法，对自避聚合物在狭缝、管状和立方体三种约束条件下的动力学特性进行了研究。我们特别注意了特征约束尺寸小于无约束聚合物的旋转半径的参数区。在键波动模型的基础上，我们测量了聚合物端到端矢量的旋转时间，聚合物中心移动相当于端到端距离均方根的距离的扩散时间，以及聚合物端从开放位置相互接近的循环时间。作为约束宽度和聚合物长度的函数，从标度理论的角度讨论了这三个时间尺度。
Monte Carlo simulations are presented for the observation of the dynamics of a self-avoiding polymer in three types of confinement: slit, tube, and cube. We pay special attention to the parameter regime where the characteristic confinement dimension is smaller than the radius of gyration of the unconfined polymer. On the basis of the bond-fluctuation model, we measured the rotation time of the end-to-end vector of the polymer, the diffusion time for the center of the polymer to move a distance comparable to the root mean square end-to-end distance, and the looping time for the ends of the polymer to approach each other from an open position. As functions of the confinement width and polymer length, these three time scales are discussed in light of scaling theories.