Theory of nonuniform fluids

非均匀流体理论

• 批准号: 0517818
• 负责人: John Weeks
• 金额: $ 35.5万
• 依托单位: University of Maryland, College Park
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 2005
• 资助国家: 美国
• 起止时间: 2005-08-01 至 2009-02-28
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=0517818&HistoricalAwards=false
• 关键词: Theory; nonuniform; fluids

John D. Weeks of the University of Maryland, College Park is supported by the Theoretical and Computational Chemistry program for work on the development of a physically motivated and generally applicable theory by which one can understand equilibrium structure, thermodynamics, and phase transitions in nonuniform liquids. Weeks is extending his local molecular field (LMF) approach to allow the consideration of more complex systems such as discrete-charge and charge- and size-asymmetric electrolyte models, charged macromolecules and fluids of polar molecules or charged solutes in polar solvents. Problems in this area are of great interest both because of the serious challenges they present to our present theoretical understanding and because of their practical importance in biophysical and industrial applications. The work is expected to have a broad impact on a number of fields, including biology and materials science.

John D.周的马里兰州，学院公园的大学是由理论和计算化学计划的工作上的物理动机和普遍适用的理论，其中一个可以理解平衡结构，热力学和相变的发展支持在不均匀的液体。Weeks正在扩展他的局部分子场（LMF）方法，以考虑更复杂的系统，如离散电荷和电荷和尺寸不对称电解质模型，带电大分子和极性分子流体或极性溶剂中的带电溶质。在这一领域的问题是非常感兴趣的，因为它们提出了严重的挑战，我们目前的理论认识，因为它们在生物物理和工业应用的实际重要性。这项工作预计将对生物学和材料科学等多个领域产生广泛影响。