Confinement effects within metal organic nanotubes: Relationships between hydrophobicity and water structure, diffusion, and selectivity

金属有机纳米管内的限制效应：疏水性与水结构、扩散和选择性之间的关系

• 批准号: 2004220
• 负责人: Tori Forbes
• 金额: $ 40.99万
• 依托单位: University of Iowa
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2020
• 资助国家: 美国
• 起止时间: 2020-08-01 至 2024-07-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=2004220&HistoricalAwards=false
• 关键词: Confinement; effects; within; metal; organic

PART 1: NON-TECHNICAL SUMMARY Water confined in nanosized channels can behave in unexpected ways and controlling this behavior could lead to the development of new materials for water purification applications. The identity of the chemical components that line the interior wall of these nanochannels may be the crucial design principle that can be used to create new materials with controllable water properties. The overall hypothesis for this project is that the identity and placement of the chemical components that make up the channel wall are key to controlling water confined within these spaces. Metal organic nanotubes (MONTs) are used to test this hypothesis because they contain one-dimensional channels, have tunable channel walls, and exhibit stability in water. Within this project, supported by the Solid State and Materials Chemistry program within the Division of Materials Research, MONTs are designed with chemical components that will either attract or repel the water molecules in specific locations along the interior wall. Then the behavior of the confined water within these new materials is explored by identifying how the confined water molecules are organized within the channel, measuring the rate of water movement through the channels, and testing the ability of the MONTs to selectively take up water over other molecules. Gaining this fundamental knowledge of confined water is important for creating advanced materials for water purification and treatment. Additional educational initiatives for this project include training in resiliency and overcoming failure to improve retention of students in science. This includes curriculum development at both the undergraduate and graduate level that will be freely disseminated to others in the field. These efforts will also include assessment and evaluation of best practices to further our understanding of the role of resiliency training in improving STEM retention. PART 2: TECHNICAL SUMMARY Predicting and controlling the behavior of nanoconfined water is important for the development of advanced applications, but structurally engineering these desired effects are dependent on the complexity of the pore walls. Metal organic nanotubes (MONTs) are optimal for probing the relationships between structural features and nanoconfinement effects due to their 1-D pore structure, tunable structural features, and relative stability in water. The overall hypothesis for this project is that increasing the hydrophobicity of the pore wall will lead to more structural ordering of the water and faster diffusion of water through the nanotube. Furthermore, combining hydrophilic and hydrophobic regions within the walls will lead to chemical selectivity of the nanopore to water. Within this project, MONTs are used to test the central hypotheses through 1) identifying clusters topologies within nanochannels and relating water structure with hydrophobicity; 2) delineating the relationship between variability hydrophobicity and water diffusion rates; and 3) determining how spatial variability of hydrophobic regions impacts water selectivity. The proposed research is expected to contribute to our fundamental understanding of the behavior of nanoconfined water in complex materials. With this systematic understanding, these ideas are translatable to the behavior and modification of other materials and may have far-reaching effects on our fundamental understanding of nanoconfined water, which is of interest to researchers in the fields of material science, chemistry, geology, engineering, and biology. Education initiatives will include specific training in resiliency and overcoming failure to improve retention of underrepresented groups in science. This includes curriculum development at both the undergraduate and graduate level that will be freely disseminated to the field to reach a broader audience. These efforts will also include assessment and evaluation of best practices to further our understanding of the role of resiliency training in improving STEM retention. This project is supported by the Solid State and Materials Chemistry program in the Division of Materials Research.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.

第1部分：限制在纳米化通道中的非技术摘要水可能以意想不到的方式行事，控制这种行为可能会导致开发用于水净化应用的新材料。 这些纳米通道内壁的化学成分的身份可能是至关重要的设计原理，可用于创建具有可控水性能的新材料。 该项目的总体假设是，构成通道壁的化学成分的身份和位置是控制限制在这些空间内的水的关键。金属有机纳米管（MONT）用于检验该假设，因为它们包含一维通道，具有可调的通道壁并在水中表现出稳定性。 在该项目中，在材料研究划分内的固态和材料化学计划的支持下，MONT的设计具有化学成分，可以吸引或排斥沿着内壁的特定位置的水分子。 然后，通过确定如何在通道内组织约束水分子，测量通过通道的水速率并测试蒙特选择性地将水比其他分子选择性取水的能力来探索这些新材料中的封闭水的行为。 获得这种受限水的基本知识对于创建净水和治疗的先进材料很重要。 该项目的其他教育举措包括培训弹性和克服未能改善学生在科学领域的保留。 这包括在本科和研究生级别的课程开发，这些课程将自由传播给该领域的其他人。这些努力还将包括对最佳实践的评估和评估，以进一步了解我们对弹性训练在改善STEM保留方面的作用。 第2部分：预测和控制纳米结合水的行为的技术摘要对于高级应用的开发很重要，但是在结构上进行工程这些所需的效果取决于孔隙壁的复杂性。金属有机纳米管（MONTS）是最佳的，用于探测由于其1-D孔结构，可调结构特征和水中的相对稳定性而引起的结构特征和纳米结合效应之间的关系。该项目的总体假设是，增加孔隙壁的疏水性将导致水的更结构性排序，并更快地通过纳米管扩散。 此外，在墙壁内结合亲水和疏水区将导致纳米孔对水的化学选择性。 在该项目中，MONT用于通过1）识别纳米通道内的簇拓扑并将水结构与疏水性相关的簇； 2）描述疏水性变异性与水扩散率之间的关系； 3）确定疏水区域的空间变异性如何影响水选择性。预计拟议的研究将有助于我们对复杂材料中纳米结合水的行为的基本理解。 有了这种系统的理解，这些思想可以转化为其他材料的行为和修改，并且可能对我们对纳米结合水的基本理解产生深远的影响，这对材料科学，化学，地质学，工程和生物学领域的研究人员感兴趣。 教育计划将包括针对弹性的特定培训和克服无法改善科学中代表性不足群体的保留率的培训。 这包括本科和研究生级别的课程开发，这些课程将自由传播到该领域以吸引更广泛的受众。这些努力还将包括对最佳实践的评估和评估，以进一步了解我们对弹性训练在改善STEM保留方面的作用。 该项目得到了材料研究部的固态和材料化学计划的支持。该奖项反映了NSF的法定任务，并且使用基金会的知识分子优点和更广泛的影响评估标准，被认为值得通过评估来支持。