NER: Computational Design of Nanostructured Complex Fluid Formulations: A Feasibility Study

摘要CTS-0304596 G。Fredrickson，加州圣巴巴拉大学这个探索性的研究项目将评估在几个行业，如油漆，涂料，聚合物合金，化妆品和加工食品中重要的复杂流体配方加工过程中进行直接数值模拟纳米结构发展的可行性。 用于生产共聚物的合成方法的进步已经使得能够实现令人兴奋的新的多相复杂流体制剂，其中域尺寸福尔斯落在纳米范围内，1-100 nm，并且域的几何排列可以通过改变共聚物结构、加工和组成变量来精确控制。 模拟的框架将是最近开发的平衡自组装和相行为，这将被扩展到非平衡系统，包括耦合到应力应变和动量密度场的场论技术。 该方法将被验证对剪切诱导的微观结构的发展在聚（乙烯基环己烷）-聚（乙烯）多嵌段共聚物，已成为先进的光学介质树脂的首选实验数据。该项目由CTS/ENG和DMR/MPS资助。

ABSTRACTCTS-0304596G. Fredrickson, U of CA Santa BarbaraThis exploratory research project will assess the feasibility of conducting direct numerical simulations of nanostructure development during processing of complex fluid formulations of importance in several industries, such as paints, coatings, polymer alloys, cosmetics and processed foods. Advances in synthetic methods for producing copolymers have enabled exciting new multiphase complex fluids formulations in which the domain size falls in the nanometer range, 1-100 nm, and the geometrical arrangement of the domains can be precisely controlled by varying copolymer architecture, processing and composition variables. The framework for the simulations will be a field theoretic technique recently developed for equilibrium self-assembly and phase behavior, which will be extended to non-equilibrium systems that include couplings to stress strain and momentum density fields. The approach will be validated against experimental data on shear-induced microstructure development in poly(vinylcyclohexane)-poly(ethylene) multiblock copolymers, which have emerged as top candidates for advanced optical media resins. The project is being funded by CTS/ENG and DMR/MPS.