论文标题
评论：Rouse模型的模拟测试
Review: Simulational Tests of the Rouse Model
论文作者
论文摘要
该文件是我评论卷中的一章“聚合物物理学：聚合物流体模拟的现象学”。本章将Rouse模型的文献测试视为融化中聚合物运动的描述。总而言之：文献最终证明了Rouse模型并未描述熔体中的聚合物运动。模拟发现，单个隆起振幅的时间自相关函数是时间上的拉伸指数，而不是Rouse模型预测的纯指数。此外，劳斯模式的平均值振幅<（x_p（0）x_p（0）>偏离模型的预测，至少在p> 3中，此外，<（x_p（0）x_p（t）>的放松时间<（x_p（0）x_p（t）>不取决于p，而不是随机地由rouse模型所预测的，根据rouse模型。中间结构因子g（q，t）被预测由高斯近似值准确地描述。
The file is a Chapter from my review volume "Polymer Physics: Phenomenology of Polymeric Fluid Simulations". The chapter treats literature tests of the Rouse model, which is widely invoked as a description of polymer motion in melts. In summary: The literature conclusively demonstrates that the Rouse model does not describe polymer motion in melts. Simulations find that the temporal autocorrelation function of a single Rouse amplitude is a stretched exponential in time, not the pure exponential predicted by the Rouse model. Also, the mean-square amplitude of the Rouse modes <(X_p (0) X_p (0) > deviates from the model's prediction, at least for p > 3. Furthermore, the relaxation time of <(X_p (0) X_p (t) > depends on p, but not as predicted by the Rouse model. According to the Rouse model, bead displacements are driven by independent Gaussian random processes. Accordingly, the intermediate structure factor g(q,t) is predicted to be accurately described by the Gaussian approximation. Doob's theorem then guarantees that g(q,t) decays as a single exponential in time. Simulations show that these predictions of the Rouse model are incorrect.
