New Directions in the Molecular Theory of Electromagnetic Response and in Nonequilibrium Thermodynamics

电磁响应分子理论和非平衡热力学的新方向

• 批准号: 9309005
• 负责人: Katharine Hunt
• 金额: $ 3.46万
• 依托单位: Michigan State University
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 1993
• 资助国家: 美国
• 起止时间: 1993-07-01 至 1994-12-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=9309005&HistoricalAwards=false
• 关键词: New; Directions; Molecular; Theory; Electromagnetic

Professor Katharine Hunt is supported by a Career Advancement Award from the Special Projects Program in the Chemistry Division to pursue new directions of research in the theory of electromagnetic response and non- equilibrium thermodynamics. In the first area of research, Dr. Hunt will develop a new theory, based on nonlocal current- density susceptibilities, which will be used to characterize the intramolecular contributions to experimentally measured magnetic properties of molecules. Dr. Hunt will conduct research on a novel method for screening nonlinear optical materials via the ordinary Raman effect. Additional problems to be studied within this field of research include selective bond cleavage, and studies of van der Waals forces between macromolecular chain segments. In the second field of study, non-equilibrium thermodynamics, Dr. Hunt will conduct theoretical research in chemical wave front propagation in inhomogeneous systems in an effort to better understand the thermodynamic behavior and the concentration fluctuations that accompany chemical oscillations in continuous-flow stirred tank reactors. %%% Dr. Hunt's theoretical research impinges upon two important fundamental problems: 1) understanding the interactions which are important for explaining the response of atoms and molecules to electromagnetic fields; and 2) the underlying physics which applies to non-equilibrium chemical systems which exhibit nonlinear properties such as wave propagation and chemical oscillation. The first area has important implications with regard to the design of new optical materials, and the second area forms a basis for the oscillatory behavior often exhibited in biological systems such as the cardiac muscle.

教授凯瑟琳亨特是由职业发展的支持 化学特别项目奖 该部门致力于追求理论研究的新方向 电磁响应和非平衡态热力学。 在第一个研究领域，亨特博士将开发一种新的 理论，基于非局部电流密度的可伸缩性， 这将被用来表征分子内 对实验测量的磁性的贡献 分子。 亨特博士将研究一种新的方法 用于通过普通的非线性光学材料筛选， 拉曼效应。 在此范围内需要研究的其他问题 研究领域包括选择性键断裂， 大分子链段之间的货车范德华力。 在第二个研究领域，非平衡态热力学， 亨特博士将在化学波方面进行理论研究 非均匀系统中的波前传播， 更好地理解热力学行为和 伴随化学振荡的浓度波动 在连续流搅拌槽反应器中。 %%% 亨特博士的理论研究涉及两个重要的 基本问题：1）理解相互作用， 对解释原子的反应很重要， 分子的电磁场;和2）底层 物理学适用于非平衡化学系统， 表现出诸如波传播的非线性特性， 化学振荡 第一个领域具有重要意义 关于新的光学设计的影响 材料，第二个领域形成了基础， 振荡行为通常表现在生物系统中， 就像心肌一样