Theoretical and Computational Studies of Macromolecular Materials

高分子材料的理论与计算研究

• 批准号: 0204020
• 负责人: Alan Denton
• 金额: $ 26.4万
• 依托单位: North Dakota State University Fargo
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2002
• 资助国家: 美国
• 起止时间: 2002-07-15 至 2006-06-30
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=0204020&HistoricalAwards=false
• 关键词: Theoretical; Computational; Studies; Macromolecular; Materials

Theoretical and computer simulation studies of effective interactions and thermodynamic phase behavior in macromolecular materials will be undertaken. Three classes of system will be investigated: charge-stabilized colloidal suspensions, polyelectrolyte solutions, and colloid-polymer mixtures. The main objectives are to characterize effective interactions between macromolecules in solution and to input these interactions into statistical mechanical theories and computer simulations to predict thermodynamic behavior. The project will benefit the new Computational Physics program at North Dakota State University.

将对高分子材料中的有效相互作用和热力学相行为进行理论和计算机模拟研究。三个类别的系统将被调查：电荷稳定的胶体悬浮液，悬浮液，和胶体聚合物的混合物。主要目标是表征溶液中大分子之间的有效相互作用，并将这些相互作用输入统计力学理论和计算机模拟来预测热力学行为。该项目将有利于北达科他州州立大学的新计算物理学项目。