Novel Supramolecular Structures of Laterally Confined Amphiphilic Molecules

横向限制两亲分子的新型超分子结构

• 批准号: 1068705
• 负责人: Brian Grady
• 金额: $ 33.5万
• 依托单位: University of Oklahoma Norman Campus
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2011
• 资助国家: 美国
• 起止时间: 2011-08-01 至 2015-07-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=1068705&HistoricalAwards=false
• 关键词: Novel; Supramolecular; Structures; Laterally; Confined

The research objective of this project is to understand how lateral confinement (either by edges or walls) determines the characteristics of surfactant adsorption and the morphology of surfactant aggregates. To this end it is crucial to study, understand, and predict the effects of lateral confinement on the thermodynamic properties of adsorbed surfactants. This project explores how nanopattern size affects surfactant adsorption and self-assembled structures under confinement. Patterns of controlled size and type will be manufactured using lithographic techniques and both the amount and morphology of the adsorbed surfactant layer will be determined. Experimental data will be employed to initialize molecular simulation studies. All-atom molecular dynamics will be employed to interrogate the structure of adsorbed surfactants. Dissipative particle dynamics (DPD) simulations, parameterized using the results of all-atom simulations, will be performed to calculate adsorption isotherms and predict novel phases for the adsorbed aggregates for comparing and interpreting experimentally-measured quantities, for predicting exotic assembly morphologies, and for guiding subsequent experimental verification.Because lateral confinement could induce a wealth of novel phases for the aggregates, this research will provide transformative insights towards the manufacture of nanostructured surfaces. Further, surfactant adsorption on irregular solid surfaces dictates the outcome of a number of practical applications ranging from mineral flotation to oil-drilling operations and very little is known regarding the morphology of surfactant aggregates adsorbed on rough surfaces. This project is expected to yield educational impacts on multiple levels. High-school students from the Oklahoma School for Science and Mathematics (OSSM) and Norman High School will actively participate to this project during the summer. A unique blog (i.e., a world-wide-web journal) will document the graduate student's experiences working on research and present a "human" face of scientists to the broad public. The blog will be referenced in all papers resulting from this project, and it will be accessible from the PIs' web sites. By presenting to the public how the research is carried out "from start-to-finish," the blog is expected to stimulate future students into undertaking a career in STEM disciplines.

该项目的研究目标是了解侧向限制（边缘或壁）如何决定表面活性剂吸附的特征和表面活性剂聚集体的形态。为此，它是至关重要的研究，理解和预测的影响，横向约束吸附表面活性剂的热力学性质。这个项目探讨了纳米图案的大小如何影响表面活性剂的吸附和自组装结构下的限制。控制的大小和类型的图案将使用平版印刷技术制造，并且将确定吸附的表面活性剂层的量和形态。 实验数据将被用来启动分子模拟研究。全原子分子动力学将被用来询问吸附的表面活性剂的结构。耗散粒子动力学（DPD）模拟，使用全原子模拟的结果进行参数化，将被执行来计算吸附等温线和预测吸附聚集体的新相，用于比较和解释实验测量的量，用于预测奇异的组装形态，并用于指导后续的实验验证。这项研究将为纳米结构表面的制造提供变革性的见解。 此外，表面活性剂在不规则固体表面上的吸附决定了从矿物浮选到石油钻探操作的许多实际应用的结果，并且关于吸附在粗糙表面上的表面活性剂聚集体的形态知之甚少。预计该项目将在多个层面产生教育影响。来自俄克拉荷马州科学与数学学校（OSSM）和诺曼高中的高中生将在夏季积极参与这个项目。一个独特的博客（即，一份万维网期刊）将记录研究生从事研究的经历，并向广大公众展示科学家的“人性”一面。该博客将在该项目产生的所有文件中引用，并可从主要研究人员的网站上查阅。通过向公众展示研究是如何“从开始到结束”的，该博客有望激励未来的学生从事STEM学科的职业生涯。