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聚(氯-对-亚二甲苯基)薄膜生长的分子动力学模拟。

Molecular dynamics simulations of the growth of poly(chloro-para-xylylene) films.

机构信息

Faculty of Chemistry, University of Gdansk, ul. Sobieskiego 18, 80-952 Gdansk, Poland.

出版信息

J Mol Model. 2011 Nov;17(11):2725-33. doi: 10.1007/s00894-011-1050-3. Epub 2011 May 6.

Abstract

Parylene C, poly(chloro-para-xylylene) is the most widely used member of the parylene family due to its excellent chemical and physical properties. In this work we analyzed the formation of the parylene C film using molecular mechanics and molecular dynamics methods. A five unit chain is necessary to create a stable hydrophobic cluster and to adhere to a covered surface. Two scenarios were deemed to take place. The obtained results are consistent with a polymer film scaling growth mechanism and contribute to the description of the dynamic growth of the parylene C polymer.

摘要

聚对二甲苯 C,即聚氯代对二甲苯,因其具有优良的化学和物理性能,是聚对二甲苯家族中应用最广泛的成员。在这项工作中,我们使用分子力学和分子动力学方法分析了聚对二甲苯 C 薄膜的形成。需要五个单元链来形成一个稳定的疏水簇并附着在覆盖的表面上。有两种情况被认为会发生。得到的结果与聚合物膜的比例生长机制一致,并有助于描述聚对二甲苯 C 聚合物的动态生长。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3da4/3203227/a35b5a6762aa/894_2011_1050_Fig1_HTML.jpg

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