CAREER: A Research and Education Program in Nanostructured Materials for Adsorption Based Separations at the University of Puerto Rico, Mayaguez

该项目提供研究和教育活动，旨在阐明纳米多孔材料的重要方面，并分别传播基于吸附的前沿分离知识。研究工作分为两个主要任务。第一个重点是基于热不稳定纳米结构的吸附剂的理解、开发和制备。这将通过使用实验表征技术和分子动力学计算来完成，以揭示质子化结构导向剂（SDAs）在高过渡金属含量特定框架环境中对四面体原子配位的影响。通过溶剂萃取、离子交换和/或化学裂解技术来去除SDA以暴露其独特的吸附特性。新的吸附材料将被表征为潜在的吸附分离应用。本提案的第二个研究任务旨在开发络合和氧化吸附剂，用于从水流中选择性地、高容量地去除药物和个人护理产品（PPCPs）。这些污染物以百万分之一和十亿分之一的水平存在，很难用现有的水净化技术来减少。这里考虑的吸附剂材料将提供足够强的吸附相互作用，以去除这种浓度水平下的PPCPs，同时允许使用简单的工程手段进行再生循环。通过动态吸附试验和密度泛函理论计算筛选吸附材料。教育工作将涉及从K-12到研究生水平的学生。在研究生阶段，建议开设一门题为“纳米结构材料中的吸附”的研究生课程。本课程将涵盖化学工程中材料科学的最新方法，包括吸附剂合成、材料吸附性能分析和分子动力学模拟，这些组合在高级研究生课程中是不常见的。在本科阶段，任务旨在将与纳米多孔材料和前沿吸附方法相关的主题纳入现有的质量传输课程。此外，教育活动还包括在课堂上开发和实施与吸附相关的先进多媒体演示技术模块。这和其他正在进行的部门活动将有助于修订化学工程课程，并解决几个未来的挑战，包括增加对纳米尺度科学和工程潜力的理解和欣赏，这些潜力需要创造一个知情的公民和有竞争力的劳动力。在K-12阶段，该提案包括将通过“车轮上的科学”项目实施的活动。这些活动包括分别开发小学五年级和初中/高中西班牙裔学生水平的吸附学习模块，并利用工程前讲习班进行早期招聘。本项目的研究工作旨在开发热不稳定多孔材料的表面积和孔体积的吸附技术，并设计对ppcp具有高选择性和高容量的吸附剂。前者将揭示在框架电荷补偿限制了结构稳定性的纳米结构环境中SDA的去除动力学。尽管提出的工作专门针对高过渡金属含量的SBE材料，但结果应该影响其他表现出类似困境的结构。拟议工作的第二部分是已知的通过非传统吸附剂解决减缓ppcp问题的首次尝试。因此，它的影响将是立竿见影的，并将为水净化方法提供疏水表面功能化的新途径。创建纳米结构吸附材料研究生课程的教育活动，在本科课程中加入前沿吸附相关主题，开发先进的多媒体吸附模块，开发K-12吸附教育模块，参与早期工程专业学生招聘，将有助于解决化学工程和其他纳米科学领域未来的挑战。该提案的主要目标之一是教授和培训与纳米尺度吸附科学和工程相关的代表性不足的学生。该提案中提出的研究和教育活动是根据波多黎各大学马亚圭斯分校（UPRM）的战略计划设计的。根据NSF的定义，UPRM是一个非博士机构，但是一些正在进行的研究和教育活动，包括这项提议，正准备改变这一地位。这些努力还将帮助UPRMs化学工程项目（美国最大的西班牙裔化学工程师项目）实施纳米技术、工程材料、环境和能源科学方面的研究和教育计划。从研究和教育任务中获得的结果将通过同行审查期刊和国家会议传播。

This project presents research and educational activities designed to elucidate important aspects about nanoporous materials and disseminate knowledge in cutting-edge adsorption-based separations, respectively. The research efforts are divided in two main tasks. The first one focuses in the understanding, development, and preparation of sorbents based on thermally unstable nanostructures. This will be accomplished by using experimental characterization techniques and molecular dynamics calculations, to expose the effect that protonated structure directing agents (SDAs) have on the coordination of tetrahedral atoms in high transition metal content specific framework environments. SDA removal to expose the unique adsorption properties willbe accomplished through solvent extraction, ion exchange, and/or chemical cleavage techniques. The new sorbent materials will be characterized for potential adsorption separation applications. The second research task in this proposal aims at the development of complexation and oxidation sorbents for the selective, highcapacity removal of pharmaceutical and personal care products (PPCPs) from water streams. These contaminants are present at the parts-per-million and per-billion levels, which are difficult to trim down using existent water-purification technologies. The sorbent materials to be considered here will offer adsorption interactions sufficiently strong to remove PPCPs at such concentration levels while allowing regeneration cycles by using simple engineering means. The sorbent materials will be screened through dynamic adsorption tests and using density functional theory calculations. The educational efforts will involve students from the K-12 to the graduate level. At the graduate level, it is proposed to create a graduate course entitled Adsorption in Nanostructured Materials. The course will cover state-of-the-art methods in material science in chemical engineering, including sorbents synthesis, material adsorption performance analysis, and molecular dynamics simulation, a combination that is nottypically found in advanced single graduate courses. At the undergraduate level, the tasks aim at the inclusion of topics related to nanoporous materials and cutting-edge adsorption methods to an existing mass transport course. In addition, the education activities include the development and implementation of adsorption related modules for advanced multimedia presentation techniques in the classroom. This and other ongoing departmental activities will help to revise the Chemical Engineering curriculum and address several future challenges, including the increased understanding and appreciation of the potential for nanoscale science and engineering needed to create an informed citizenry and a competitive workforce. At the K-12 level, this proposal includes activities that will be implemented through the Science on Wheels program. These activities include development of K-5 and junior/high school Hispanic students level adsorption learning modules, respectively, and the use of pre-engineering workshops for early recruitment. The research work in this project is aimed at developing techniques to expose thermallyunstable porous materials surface area and pore volume for adsorption applications and to design sorbents with high selectivity and capacity towards PPCPs. The former will shed light into SDA removal dynamics in nanostructured environments were frame charge compensation limits the stability of the structure. Although the proposed work aims specifically at high transition metal content SBE materials, the outcome should impact other structures that exhibit a similar quandary. The second part of the proposed work is the first known attempt to address PPCPs mitigation via non-traditional sorbents. Therefore, its impact will be immediate and will provide new ways of functionalizing hydrophobic surfaces for water purification methods. Educational activities for the creation of a graduate course in nanostructured sorbent materials, addition of cutting-edge adsorption related topics into an undergraduate course, development of advanced multimedia adsorption modules, development of K-12 adsorption education modules and participation in early students recruitment for engineering careers will help to address future challenges in Chemical Engineering and other Nanoscale Sciences. One of the main goals of this proposal is to teach and train underrepresented students in topics related to nanoscale adsorption sciences and engineering. The research and educational activities presented in this proposal were designed with the University of Puerto Rico at Mayaguezs (UPRM) strategic plan in mind. According to NSF definitions, the UPRM is a non-PhD institution, but several ongoing research and educational activities, including this proposal, are poised to change that status. The efforts will also help the UPRMs Chemical Engineering program, the largest Hispanic chemical engineers producer in the Nation, to implement research and education initiatives in nanotechnology, engineering materials, environmental and energy sciences. The results obtained from the research and education tasks will be disseminated through peer review journals as well as national meetings.