A random walk chain reptating in a network of obstacles: Monte Carlo study of diffusion and decay of correlations and a comparison with the Rouse and reptation models
A random walk chain reptating in a network of obstacles: Monte Carlo study of diffusion and decay of correlations and a comparison with the Rouse and reptation models
复制标题
障碍物网络中的随机游走链：相关性扩散和衰减的蒙特卡罗研究以及与劳斯和爬行模型的比较
DOI：
10.1063/1.459791
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发表时间：
1991
影响因子：
4.4
通讯作者：
J. Reiter
中科院分区：
文献类型：
--
作者：
J. Reiter
众所周知，长度为N的随机游动链的端到端向量关联的积分衰减时间分别与Rouse和Reptation模型的n2和n3成正比。对于长度为n的子链分别位于链的中心和末端，如果n≪N成立，则这些时间在Rouse模型中约为NN和n2，在Retation模型中约为nn2和n2N。用蒙特卡罗方法模拟了障碍物网络中通过缺陷扩散沿其轮廓线移动的随机行走链，当链长从15到63变化时，端到端向量的自相关时间和原始路径的解缠时间分别约为N3.5和N3.7。曲线扩散系数约为N−1.2，质心扩散系数约为N−2.4。小分子链的积分自相关时间随n/N变化，也比旋转模型预测的快。
The integrated decay times for correlations of the end‐to‐end vector of random walk chains of length N are well known to be proportional to N2 and N3 for the Rouse and the reptation models, respectively. For subchains of length n situated in the center and at the end of a chain, respectively, these times are about nN and n2 in the Rouse model and nN2 and n2N in the reptation model if n≪N holds. For a random walk chain in a network of obstacles which moves along its contour by defect diffusion with Monte Carlo simulations, the autocorrelation time for the end‐to‐end vector and the disentanglement time for the primitive path are found to vary as about N3.5 and N3.7, respectively, for chain lengths varying from 15 to 63. The curvilinear diffusion coefficient varies as about N−1.2 and the center‐of‐mass diffusion coefficient varies as about N−2.4. The integrated autocorrelation times of small subchains vary with n/N also faster than predicted by the reptation model.