Atomistic and Mesoscopic Physics of Electrokinetic Transport near Soft Surfaces

软表面附近动电传输的原子和介观物理

• 批准号: 0756496
• 负责人: Rui Qiao
• 金额: $ 22.45万
• 依托单位: Clemson University
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2008
• 资助国家: 美国
• 起止时间: 2008-06-15 至 2012-05-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=0756496&HistoricalAwards=false
• 关键词: Atomistic; Mesoscopic; Physics; Electrokinetic; Transport

CBET-0756496QiaoElectrokinetic transport near soft surfaces, or surfaces penetrable by fluid flow, is the foundation of engineering techniques such as electroosmotic flow control by polymer coating and electrokinetic characterization of polymer?]coated particles. While many experimental observations of this transport have been rationalized by semi?]phenomenological macroscopic models, understanding of this transport at the atomistic and mesoscopic scales is still limited. Hence, the validity of key assumptions in the current macroscopic models is not firmly established and the physical origins of fitting parameters in the models remain elusive. Thus it is imperative to improve our understanding of such transport at the atomistic and mesoscopic scale. The objective of this research is to investigate the electrokinetic transport near surfaces grafted with neutral polymers. Specifically, the PIs will study the effects of polymer coating on the structure and dynamics of the electrical double layer and the atomistic mechanisms of electroosmotic flow screening by end?]grafted polymers, and the two?]way coupling between the mesoscopic structure of end?]grafted polymers and electroosmotic. Both topics will be performed by using atomistic (molecular dynamics) and mesoscopic (dissipative particle dynamics) simulations, respectively. The planned simulation studies will be complemented with experimental studies by collaborators. The PI?fs research will provide vital details of the transport that current modeling and experiments are unable to elucidate. Such atomistic and mesoscopic details will provide firm theoretical underpinning for the macroscopic models of this transport and also lay foundation for developing new models when the current models are proven inadequate. The planned research is built upon the PI?fs expertise in atomistic and mesoscopic modeling of electrokinetic transport and is supported by state?]of?]art computing facilities. The project will be tied intimately with the undergraduate and graduate education at Clemson University. Students participating in this project will be exposed to diverse fields such as hydrodynamics, polymer physics and physical chemistry. Undergraduate students will be involved in the research through the Creative Inquiry program (the flagship undergraduate research program at Clemson) and the Honors Research Program in the PI?fs home department. Various resources, e.g., the minority recruitment programs at Clemson University, will be utilized to recruit students from underrepresented groups to participate in this project. Research results will be developed into modules for graduate and undergraduate courses. A website centering on the electrokinetic transport near soft surfaces will be designed and maintained. In addition to providing access to all the research and education materials developed in this project, the website will feature reviews of electrokinetic transport near soft surfaces and links to active researchers in this important field.

软表面或可被流体流动穿透的表面附近的电动传输是工程技术的基础，例如通过聚合物涂层的电渗流控制和聚合物的电动表征。包覆颗粒。虽然这种运输的许多实验观察已合理化的半？]尽管我们使用了唯象宏观模型，但在原子和介观尺度上对这种输运的理解仍然有限。因此，在目前的宏观模型中的关键假设的有效性并没有牢固地建立和模型中的拟合参数的物理起源仍然难以捉摸。因此，必须提高我们对这种传输在原子和介观尺度的理解。本研究的目的是研究表面接枝中性聚合物附近的电动传递。具体而言，PI将研究聚合物涂层对双电层结构和动力学的影响，以及电渗流筛选的原子机制。#21453;的聚合物，两者？介观结构之间的耦合方式？]接枝聚合物和电渗。这两个主题将分别使用原子（分子动力学）和介观（耗散粒子动力学）模拟。计划的模拟研究将辅之以合作者的实验研究。私家侦探？FS研究将提供目前的建模和实验无法阐明的运输的重要细节。这种原子和介观细节将为这种输运的宏观模型提供坚实的理论基础，并在当前模型被证明不充分时为开发新模型奠定基础。计划的研究是建立在PI？财政司司长在电动力学运输的原子和介观建模方面的专业知识，并得到国家的支持？的？]艺术计算设施。该项目将与克莱姆森大学的本科和研究生教育密切相关。参加该项目的学生将接触到不同的领域，如流体力学，聚合物物理和物理化学。本科生将通过创造性探究计划（克莱姆森的旗舰本科研究计划）和PI的荣誉研究计划参与研究。财政司司长各种资源，例如，克莱姆森大学的少数族裔招生计划将被用来从代表性不足的群体中招收学生参加这个项目。研究成果将被开发成研究生和本科生课程的模块。将设计和维护一个以软表面附近的电动运输为中心的网站。除了提供该项目中开发的所有研究和教育材料外，该网站还将提供软表面附近电动迁移的评论，并链接到这一重要领域的活跃研究人员。