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

abstractcts - 0304596 g。这个探索性研究项目将评估在油漆、涂料、聚合物合金、化妆品和加工食品等几个行业中重要的复杂流体配方加工过程中进行纳米结构发展直接数值模拟的可行性。生产共聚物的合成方法的进步使得令人兴奋的新型多相复杂流体配方成为可能，其中结构域的尺寸落在纳米范围内，1-100纳米，并且结构域的几何排列可以通过改变共聚物的结构、加工和组成变量来精确控制。模拟的框架将是最近为平衡自组装和相行为开发的场理论技术，它将扩展到包括应力应变和动量密度场耦合的非平衡系统。该方法将通过剪切诱导的聚（乙烯基环己烷）-聚（乙烯）多嵌段共聚物微观结构发展的实验数据进行验证，该共聚物已成为先进光学介质树脂的首选材料。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.