Dynamic Molecular Switching for Environmentally Adaptive Surfaces

环境适应性表面的动态分子开关

基本信息

  • 批准号:
    2052438
  • 负责人:
  • 金额:
    $ 49.78万
  • 依托单位:
  • 依托单位国家:
    美国
  • 项目类别:
    Standard Grant
  • 财政年份:
    2021
  • 资助国家:
    美国
  • 起止时间:
    2021-07-01 至 2024-06-30
  • 项目状态:
    已结题

项目摘要

While surfaces generally have fixed compositions, the ability to design dynamic surfaces that rapidly alter their composition when the environment is changed can impact several areas, including prevention of surface contamination and facilitation of adsorption/desorption. This project will combine experiments and molecular simulations to design and characterize molecular films that rapidly change their surface composition when the external environment is altered. This change in composition will be accomplished by molecular surface groups that display both “hydrophobic” and “hydrophilic” components. The hydrophobic components will orient to dominate the surface when exposed to air or a nonpolar solvent, whereas the hydrophilic components will orient to occupy the surface when exposed to water. The investigators will use these films to study new self-cleaning and thermoresponsive surfaces. Outreach for this project includes offering a one-week intensive course on nanotechnology to gifted middle school students and a molecular modeling cybercamp. Discoveries from this research will provide fertile design examples for the elective courses taught by the investigators, who are both award-winning teachers. The investigators will continue to be strong mentors for undergraduate and graduate students, including those from underrepresented backgrounds, to propel students toward careers in science and engineering. This collaborative project will combine experiments and molecular simulations to design and develop a class of molecular films that are instantaneously adaptive to their environment. These films will become energetically minimized when exposed to a new environment through the orientation of multifunctional surface groups. In the first objective, molecular simulations and experiments will be combined to design, synthesize, and assemble a class of molecular adsorbates for preparation of environmentally adaptive monolayer films. Computational screening using the Molecular Simulation Design Framework (MoSDeF) will allow for rapid screening of the identified parameter space; promising adsorbates will then be experimentally synthesized and assembled. In the second objective, the most promising films will be thoroughly investigated to maximize the magnitude of the response, establish the mechanism of the interfacial switching, and further optimize the molecular design. In the third objective, the developed design tools will be used to construct pH- and thermo-responsive surfaces and self-cleaning amphibious surfaces that can minimize adventitious contamination, shed oil, and resist biofouling. Since the environmental adaptation described here is simply a reorientation of a surface group, these systems would offer immediate response to minimize interfacial free energy upon exposure to a new environment, unlike commonly studied materials that rely on macromolecular motion and are restricted to specific solvents or environments. The proposed materials and surfaces will be designed based on a tight collaboration between molecular simulations and experiments for targeted adaptation around known environmental cues, such as continual transitions between liquid and air, solvent and water, different pH values, or temperature.This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.
虽然表面通常具有固定的组成,但设计动态表面的能力可以在环境改变时快速改变其组成,这可能会影响几个领域,包括防止表面污染和促进吸附/解吸。该项目将结合联合收割机实验和分子模拟来设计和表征当外部环境改变时快速改变其表面组成的分子膜。 这种组成的变化将通过显示“疏水”和“亲水”组分的分子表面基团来实现。 当暴露于空气或非极性溶剂时,疏水性组分将取向为支配表面,而当暴露于水时,亲水性组分将取向为占据表面。 研究人员将使用这些薄膜来研究新的自清洁和热敏表面。 该项目的外联活动包括为有天赋的中学生提供为期一周的纳米技术强化课程和分子建模网络夏令营。 这项研究的发现将为研究人员教授的选修课程提供丰富的设计范例,他们都是获奖教师。 调查人员将继续成为本科生和研究生的强大导师,包括那些来自代表性不足的背景的学生,以推动学生走向科学和工程职业。这个合作项目将结合联合收割机实验和分子模拟来设计和开发一类瞬间适应其环境的分子膜。 这些薄膜在暴露于新的环境时,通过多功能表面基团的取向,将能量最小化。第一个目标是将分子模拟和实验相结合,设计、合成和组装一类分子吸附物,用于制备环境适应性单层膜。 使用分子模拟设计框架(MoSDEF)的计算筛选将允许快速筛选所确定的参数空间;然后将实验合成和组装有前途的吸附物。 在第二个目标中,最有前途的薄膜将被彻底研究,以最大限度地提高响应的幅度,建立界面切换的机制,并进一步优化分子设计。 在第三个目标中,开发的设计工具将用于构建pH和温度响应表面和自清洁两栖表面,可以最大限度地减少偶然污染,脱落油,并抵抗生物污垢。 由于这里所描述的环境适应性仅仅是表面基团的重新取向,因此这些系统将在暴露于新环境时提供立即响应以最小化界面自由能,这与通常研究的依赖于大分子运动并且限于特定溶剂或环境的材料不同。拟议的材料和表面将基于分子模拟和实验之间的紧密合作进行设计,以针对已知环境线索进行有针对性的适应,例如液体和空气,溶剂和水之间的连续转变,不同的pH值,该奖项反映了NSF的法定使命,并通过使用基金会的知识价值和更广泛的影响审查进行评估,被认为值得支持的搜索.

项目成果

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Gannon Jennings其他文献

Gannon Jennings的其他文献

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{{ truncateString('Gannon Jennings', 18)}}的其他基金

DMREF: Computational Discovery of Polymeric Membranes for Dehydration of Polar Solvents
DMREF:用于极性溶剂脱水的聚合物膜的计算发现
  • 批准号:
    2119575
  • 财政年份:
    2021
  • 资助金额:
    $ 49.78万
  • 项目类别:
    Standard Grant
Poly(ionic liquid) Brush-like Coatings for Rolling and Sliding Lubrication
用于滚动和滑动润滑的聚(离子液体)刷状涂层
  • 批准号:
    1300406
  • 财政年份:
    2013
  • 资助金额:
    $ 49.78万
  • 项目类别:
    Standard Grant
Superhydrophobic Veneers: Surface Coatings Inspired by Nature
超疏水贴面:受大自然启发的表面涂层
  • 批准号:
    1134509
  • 财政年份:
    2011
  • 资助金额:
    $ 49.78万
  • 项目类别:
    Standard Grant
Linear and Side-Functionalized Macromolecular Adsorbates for Enhanced Versatility in the Self-Assembly at Surfaces
线性和侧官能化大分子吸附剂可增强表面自组装的多功能性
  • 批准号:
    0731168
  • 财政年份:
    2007
  • 资助金额:
    $ 49.78万
  • 项目类别:
    Standard Grant
pH-Responsive Polymer Films and Surfaces
pH 响应性聚合物薄膜和表面
  • 批准号:
    0522937
  • 财政年份:
    2005
  • 资助金额:
    $ 49.78万
  • 项目类别:
    Standard Grant
EXPLORATORY: Environmentally Friendly Formation of Self-Assembled Monolayers and Surface-Initiated Polymer Films in Carbon Dioxide
探索性:在二氧化碳中环保地形成自组装单分子层和表面引发聚合物薄膜
  • 批准号:
    0203183
  • 财政年份:
    2001
  • 资助金额:
    $ 49.78万
  • 项目类别:
    Standard Grant
Water-Borne Self-Assembled Monolayers and Films
水性自组装单层膜和薄膜
  • 批准号:
    9983966
  • 财政年份:
    2000
  • 资助金额:
    $ 49.78万
  • 项目类别:
    Continuing Grant

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