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

NER：纳米结构复杂流体配方的计算设计：可行性研究

• 批准号: 0304596
• 负责人: Glenn Fredrickson
• 金额: $ 10万
• 依托单位: University of California-Santa Barbara
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2003
• 资助国家: 美国
• 起止时间: 2003-08-01 至 2004-07-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=0304596&HistoricalAwards=false
• 关键词: NER; Computational; Design; Nanostructured; Complex

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.

摘要-0304596G。 Fredrickson，加利福尼亚大学圣巴巴拉分校该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多个行业中重要的复杂流体配方加工过程中对纳米结构发展进行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，其中域尺寸落在纳米范围内（1-100 nm），并且域的几何排列可以通过改变共聚物结构、加工和成分来精确控制变量。 模拟的框架将是最近开发的用于平衡自组装和相行为的场论技术，该技术将扩展到包括应力应变和动量密度场耦合的非平衡系统。 该方法将根据聚（乙烯基环己烷）-聚（乙烯）多嵌段共聚物中剪切引起的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最佳候选者。该项目由 CTS/ENG 和 DMR/MPS 资助。