Determining the Behavior of Comb Copolymers Through Modeling and Simulation

[407100]巴拉兹本理论研究的重点是确定聚合物结构对溶液、混合物和表面大分子性质的影响。在这些研究中，重点是梳子和支链聚合物。研究的目的是确定混合自由能的熵和能量贡献如何受到大分子结构复杂性的影响。特别是，梳状共聚物在溶液中胶束的形成将被研究，以及梳状共聚物和线状共聚物或其他梳状共聚物的混相共混物的产生。另一个目标是将线状和梳状共聚物系在表面上，并创建模拟生物系统的界面。目标是从合成聚合物中设计通道，这些通道可以显示简单的门控和开关行为，或者作为溶液中某些链的受体。这项主要是计算性的研究将研究形状像梳子的聚合物混合物的性质。这些类型的聚合物具有独特的性能，特别是与附着力有关，能够形成各种结构。将研究模拟简单电子行为的仿生系统的应用。＊＊＊

9407100 Balazs The focus of this theoretical research is to determine the effect of polymer architecture on the properties of macromolecules in solutions, in blends and at surfaces. In these studies the focus is on combs and branched polymers. The aim of the research is to determine how the entropic, as well as energetic, contributions to the free energies of mixing are affected by the architectural complexity of the macromolecules. In particular, the formation of micelles from comb copolymers in solution will be studied, as well as the creation of miscible blends with combs and linear or other comb copolymers. An additional goal is to tether linear and comb copolymers onto surfaces and create interfaces which mimic biological systems. The objective is to design channels from synthetic polymers that can display simple gating and switching behavior or act as receptors for certain chains in solution. %%% This largely computational study will investigate the properties of mixtures of polymers which are shaped like combs. These type of polymers have unique properties, especially relating to adhesion, enable a variety of structures to form. Applications to biomimetic systems which will simulate simple electronic behavior will be studied. ***