Anharmonicities and Nonlinearities in Liquids

液体中的非谐性和非线性

• 批准号: 9901095
• 负责人: Richard Stratt
• 金额: $ 43.5万
• 依托单位: Brown University
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 1999
• 资助国家: 美国
• 起止时间: 1999-07-01 至 2002-06-30
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=9901095&HistoricalAwards=false
• 关键词: Anharmonicities; Nonlinearities; Liquids

Richard Stratt of Brown University is supported by a grant from the Theoretical and Computational Chemistry Program to extend his applications of the Instantaneous Normal Mode (INM) theory by the introduction of anharmonicities and nonlinearities in liquids. Stratt hopes to transcend the limitations of his previous linear, harmonic picture for liquid dynamics while still retaining enough of the language of modes to permit an understanding of the molecular mechanisms. In doing so Stratt seeks to broaden the short-time INM approach and bring it closer to resolution with the long-time hydrodynamic ideas. Stratt will also seek to examine the molecular origins of two-dimensional Raman spectroscopy which owes its existence to nonlinearity and the intrinsic anharmonicity that exists in liquid motions.The question of the influence of solvents on the dynamics and outcome of chemical reactions is of central importance to chemistry, given that most chemical reactions in nature and in chemical industry occur in the presence of solvents. Stratt's research will help to gain a better understanding, on the molecular level, of the factors that determine the way the properties of a solute are influenced by the presence of surrounding solvent.

布朗大学的理查德·斯特拉特（Richard Stratt）得到了理论与计算化学项目的资助，通过引入液体中的非调和性和非线性，扩展了他对瞬时正态模态（INM）理论的应用。Stratt希望能够超越他之前的线性、调和流体动力学图像的局限性，同时仍然保留足够的模式语言来理解分子机制。在这样做的过程中，Stratt试图扩大短期INM方法，并使其更接近于解决长期流体力学思想。Stratt还将研究二维拉曼光谱的分子起源，二维拉曼光谱的存在是由于液体运动中的非线性和固有的非调和性。溶剂对化学反应的动力学和结果的影响问题对化学至关重要，因为自然界和化学工业中的大多数化学反应都是在溶剂存在的情况下发生的。Stratt的研究将有助于在分子水平上更好地理解决定溶质性质受周围溶剂影响方式的因素。