Systematic Theoretical Description of Thermodynamics and Dynamics of Self-Assembly

自组装热力学和动力学的系统理论描述

• 批准号: 0749788
• 负责人: Karl Freed
• 金额: $ 49万
• 依托单位: University of Chicago
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 2008
• 资助国家: 美国
• 起止时间: 2008-03-01 至 2011-06-30
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=0749788&HistoricalAwards=false
• 关键词: Systematic; Theoretical; Description; Thermodynamics; Dynamics

Karl Freed of the University of Chicago is supported by an award from the Theoretical and Computational Chemistry program for research on the development of a systematic theoretical description of self-assembly. The work builds on the PI's prior NSF-supported work that focused on equilibrium association and contributed to the basic theoretical understanding of supramolecular assembly, complexity and emergence. Freed is now generalizing this approach to consider several non-equilibrium processes including the reversible formation of branched clusters, self-assembly of compact clusters and the coupling of surface adsorption and desorption with self-assembly. The theoretical and computational work being carried out by Freed and his group is expected to have a broad impact through application in both biology and materials science and to be a key component in developing effective strategies for "bottom-up" manufacturing and fabrication of functional nanostructures.

芝加哥大学的卡尔·弗里德（Karl Freed）获得了理论与计算化学项目的奖项，以研究自组装的系统理论描述。这项工作建立在PI先前NSF支持的工作基础上，该工作侧重于平衡缔合，并有助于对超分子组装，复杂性和涌现的基本理论理解。Freed现在正在推广这种方法来考虑几个非平衡过程，包括可逆形成的支链簇，自组装的紧凑的集群和耦合的表面吸附和解吸与自组装。弗里德和他的团队正在进行的理论和计算工作预计将通过在生物学和材料科学中的应用产生广泛影响，并成为开发“自下而上”制造和制造功能纳米结构的有效策略的关键组成部分。