端链双峰聚合物网络空间结构的蒙特卡罗模拟:第二部分

W Michalke, S Kreitmeier, M Lang, A Buchner, D Göritz
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引用次数: 8

摘要

本文给出了用Bond-Fluctuation-Algorithm对双峰网络进行蒙特卡罗模拟的结果。首先,研究了不同短链比例的网络的溶胶组分,发现其总小于2%。关于聚类行为,我们看到随机网络总是形成一个包含95%以上所有链的主簇,而短链少于80%的模拟网络不形成主簇。溶胀过程中的密度分布表明,溶胀程度较低,网络内部与边界之间的过渡区更明显,从而体现出聚类特征。最后,比较单峰网络和双峰网络交联剂的密度分布,我们发现所有单峰网络的内部结构都比熔体中更有序。另一方面,在双峰网络中,长链和短链之间的比例导致分数的质量相等,显示两个单独的密度分布峰的叠加,导致比熔体的高斯分布更宽的分布。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Monte Carlo simulations of the spatial structure of end-linked bimodal polymer networks: part II

The article presents the results of Monte Carlo simulations of bimodal networks performed with the Bond-Fluctuation-Algorithm. First the sol-fractions of networks with different ratios of short chains were studied and found to be always less than 2%. Concerning clustering behaviour, we saw that while random networks always form a main cluster containing more than 95% of all chains, simulated networks with less than 80% short chains do not form a main cluster. The density profiles during the swelling process show that clustering is reflected in a lower swelling degree and a sharper transition zone between the inner part and the boundary regions of the network. Finally, comparing the density distributions of crosslinkers of unimodal and bimodal networks, we found that all unimodal networks have a more ordered structure in their interior than in the melt. On the other hand, bimodal networks, where the ratio between long and short chains leads to equal masses of the fractions, show a superposition of two separate density distribution peaks, leading to a broader distribution than the Gaussian distribution found for a melt.

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