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使用三角网络生长模型模拟聚合物分形形成

Simulation of Polymer Fractal Formation Using a Triangular Network Growth Model.

作者信息

Mulder Kenneth, Heierhoff Hannah, Lee Sophia M, Tsou Jeannie Ji-Ying, Chen Wei

机构信息

Department of Mathematics and Statistics, Mount Holyoke College, South Hadley, Massachusetts 01075, United States.

School of Natural Sciences, Hampshire College, Amherst, Massachusetts 01075, United States.

出版信息

Langmuir. 2024 Oct 8;40(40):21253-21262. doi: 10.1021/acs.langmuir.4c02939. Epub 2024 Sep 27.

Abstract

Fractal formation in spin-coated thin-film polymers is of experimental and theoretical interest. Modeling the determinants and dynamics of this process will deepen our understanding of polymer aggregation and the predictability of thin-film structures. This is especially true if the model used has readily interpretable parameters and has been demonstrated to yield a close match to experimental processes under a variety of conditions. In this work, we adapted and applied a relatively new model of fractal growth comprised of a spreading and contracting triangular network, to model spin-coated, thin-film polymers made of poly(vinyl alcohol) on polydimethylsiloxane substrates. We drew clear connections between model parameters and the process of polymer aggregation and we demonstrated the ability of the model to simulate fractal formation under a wide variety of conditions including varying the degree of hydrolysis of the polymer, changing the spin-coating process, and solvent annealing and reforming of polymer fractals under different drying conditions. We also showed how the model is able to replicate idiosyncratic experimental settings yielding novel fractal patterns.

摘要

旋涂薄膜聚合物中的分形形成在实验和理论方面都具有重要意义。对这一过程的决定因素和动力学进行建模,将加深我们对聚合物聚集以及薄膜结构可预测性的理解。如果所使用的模型具有易于解释的参数,并且已被证明在各种条件下都能与实验过程紧密匹配,那么情况尤其如此。在这项工作中,我们采用并应用了一种相对较新的分形生长模型,该模型由一个扩展和收缩的三角形网络组成,用于模拟在聚二甲基硅氧烷基底上旋涂的聚乙烯醇薄膜聚合物。我们明确了模型参数与聚合物聚集过程之间的联系,并证明了该模型在多种条件下模拟分形形成的能力,这些条件包括改变聚合物的水解程度、改变旋涂过程,以及在不同干燥条件下对聚合物分形进行溶剂退火和重整。我们还展示了该模型如何能够复制产生新颖分形图案的特殊实验设置。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a98f/11465768/dca723e7745e/la4c02939_0001.jpg

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