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Theory of nonuniform fluids

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
依托单位国家:
美国
项目类别:
Continuing Grant
财政年份:
2005
资助国家:
美国
项目状态:
已结题
起止时间:
2005-08-01 至 2009-02-28
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中文摘要
翻译
马里兰大学帕克分校的约翰·d·威克斯(John D. Weeks)获得了理论与计算化学项目的支持,他的工作是发展一种物理动机和普遍适用的理论,通过这种理论,人们可以理解非均匀液体的平衡结构、热力学和相变。Weeks正在扩展他的局部分子场(LMF)方法,以允许考虑更复杂的系统,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。这一领域的问题引起人们极大的兴趣,因为它们对我们目前的理论认识提出了严峻的挑战,也因为它们在生物物理和工业应用中的实际重要性。这项工作预计将对包括生物学和材料科学在内的许多领域产生广泛的影响。
英文摘要
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.
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Solvation and structure for systems with strong Coulomb interactions
Doctoral Dissertation Research: Integrating Space and Place into Children's Perceptions of Environmental Health Hazards.
Local molecular field simulations and theory for ions, polyelectrolytes, and water
Doctoral Dissertation Research: Measuring the Environmental Context of Social Vulnerability to Urban Earthquake Hazards: An Integrative Remote Sensing and GIS Approach
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