Morphology Modulation of Multicomponent Polymer Brushes in Selective Solvent by Patterned Surfaces
Morphology Modulation of Multicomponent Polymer Brushes in Selective Solvent by Patterned Surfaces
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DOI：
10.1021/ma502256p
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发表时间：
2015-01-13
期刊：
影响因子：
5.5
通讯作者：
Mueller, M.
中科院分区：
文献类型：
--
作者：
Leonforte, F.;Mueller, M.
通过具有软、非键合相互作用的粗粒隐式溶剂模型的分子动力学模拟，研究了自适应多组分聚合物刷对化学图案化顶表面的响应，该响应是溶剂质量和刷的接枝密度以及应用图案的函数。该模型的开发，以解决实验相关的，大的不变的聚合度，和非键相互作用表示通过三阶（维里）状态方程的扩展。相互作用参数的选择模拟PAA-b-PS二嵌段共聚物刷和PAA/PS混合刷。的几何形状和规模的表面图案的作用进行了探索和相关的自发组装的形态的无约束刷的响应。
The response of adaptive multicomponent polymer brushes to chemically patterned top surfaces as a function of the solvent quality and grafting density of the brushes and for applied patterns is studied by molecular dynamics simulations of a coarse-grained implicit-solvent model with soft, nonbonded interactions. The model is developed in order to address experimentally relevant, large invariant degrees of polymerization, and nonbonded interactions are expressed via a third-order (virial) expansion of the equation of state. The choice of interaction parameters mimics PAA-b-PS diblock copolymer brushes and PAA/PS mixed brushes. The role of the geometry and scale of the surface pattern is explored and related to the response of the spontaneously assembled morphologies of the unconfined brushes.